3,16-Dihydroxy-12-oleanen-28-oic acid; (3β,16α)-form, 3-O-[β-D-Glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[α-L-arabinofuranosyl-(1→4)-[β-D-xylopyranosyl-(1→3)]-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl] ester
AlkaPlorer ID: AK296349
Synonym: Ligulataside B
IUPAC Name: None
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI: InChI=1S/C65H105NO30/c1-25-49(92-55-46(81)42(77)32(21-68)89-55)51(94-54-45(80)39(74)29(71)23-85-54)48(83)57(87-25)95-52-40(75)30(72)24-86-58(52)96-59(84)65-17-16-60(3,4)18-28(65)27-10-11-35-62(7)14-13-37(61(5,6)34(62)12-15-63(35,8)64(27,9)19-36(65)73)91-53-38(66-26(2)70)43(78)50(33(22-69)90-53)93-56-47(82)44(79)41(76)31(20-67)88-56/h10,25,28-58,67-69,71-83H,11-24H2,1-9H3,(H,66,70)
InChIKey: XLMVMPAMCMCTLY-UHFFFAOYSA-N
Reference
CAS: 2170323-58-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acacia ligulata | Acacia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1380.5320000000013
TPSA？: 480.6100000000001
MolLogP？: -4.327399999999998
Number of H-Donors: 17
Number of H-Acceptors: 30
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|