3,16,21-Trihydroxy-12-oleanen-28-oic acid; (3β,16α,21β)-form, 21-O-(2-Aminobenzoyl), 3-O-[β-D-xylopyranosyl-(1→2)-β-D-fucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[β-D-xylopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK316613
Synonym: Grandibracteoside A
IUPAC Name: [3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-(2-aminobenzoyl)oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)C6=CC=CC=C6N)CC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(O)CC34C)C2(C)C)OC(COC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
InChI: InChI=1S/C73H112N2O32/c1-28-45(81)51(87)58(105-63-55(91)47(83)36(79)26-96-63)65(98-28)97-27-38-49(85)50(86)44(75-30(3)77)61(101-38)103-42-18-19-70(8)39(69(42,6)7)17-20-71(9)40(70)16-15-32-33-21-68(4,5)43(102-60(93)31-13-11-12-14-34(31)74)23-73(33,41(80)22-72(32,71)10)67(94)107-66-59(52(88)48(84)37(24-76)100-66)106-64-56(92)53(89)57(29(2)99-64)104-62-54(90)46(82)35(78)25-95-62/h11-15,28-29,33,35-59,61-66,76,78-92H,16-27,74H2,1-10H3,(H,75,77)
InChIKey: ITCLZCQAYVLWPY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia grandibracteata | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1529.681000000001
TPSA？: 532.9300000000002
MolLogP？: -3.5212000000000026
Number of H-Donors: 18
Number of H-Acceptors: 33
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|