9-[2-[Methoxy-(3,4,5-trihydroxy-6-methyloxan-2-yl)amino]acetyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
AlkaPlorer ID: AK428371
Synonym: None
IUPAC Name: 9-[2-[methoxy-(3,4,5-trihydroxy-6-methyloxan-2-yl)amino]acetyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Structure
SMILES: C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CN(OC)C6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12
InChI: InChI=1S/C39H63NO9/c1-21(2)23-12-17-39(34(45)46)19-18-37(7)24(29(23)39)10-11-26-36(6)15-14-27(35(4,5)25(36)13-16-38(26,37)8)49-28(41)20-40(47-9)33-32(44)31(43)30(42)22(3)48-33/h22-27,29-33,42-44H,1,10-20H2,2-9H3,(H,45,46)
InChIKey: JXUZILUNMVXMRD-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 689.9310000000002
TPSA？: 145.99
MolLogP？: 5.331300000000005
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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