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Acarviostatin III0(-1)

AlkaPlorer ID: AK019123

Synonym: 'acarviostatin III0(-1)', 'Acarviostatin III0(-1)'

IUPAC Name: (3S,4R,5R)-5-[[(4S,5S,6R)-4-[(3S,4S,5R)-5-[(3S,4R,5R)-5-[[(4S,5S,6R)-4-[(3S,4S,5R)-5-[(3S,4R,5R)-3,4-dihydroxy-6-methyl-5-[[(4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-6-methyloxane-2,3,4-triol

Structure

SMILES: CC1OC(O)[C@@H](O)[C@H](O)[C@H]1NC1C=C(CO)[C@H](OC2OC(CO)[C@H](OC3OC(C)[C@H](NC4C=C(CO)[C@H](OC5OC(CO)[C@H](OC6OC(C)[C@H](NC7C=C(CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C51H85N3O32/c1-12-23(30(64)38(72)47(77)78-12)53-19-5-16(8-56)43(34(68)28(19)62)83-50-41(75)37(71)46(22(11-59)81-50)86-49-40(74)32(66)25(14(3)80-49)54-20-6-17(9-57)44(35(69)29(20)63)84-51-42(76)36(70)45(21(10-58)82-51)85-48-39(73)31(65)24(13(2)79-48)52-18-4-15(7-55)26(60)33(67)27(18)61/h4-6,12-14,18-77H,7-11H2,1-3H3/t12?,13?,14?,18?,19?,20?,21?,22?,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47?,48?,49?,50?,51?/m0/s1

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InChIKey: ADVPSQKLMVHHOI-JNZKTNTDSA-N

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Properties Information

Molecule Weight: 1252.2300000000014

TPSA？: 584.4500000000002

MolLogP？: -14.899100000000026

Number of H-Donors: 26

Number of H-Acceptors: 35

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information