Heinsiagenin A; 3-O-[β-D-Glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK300081
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C(=C/C=C/C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(COC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C66H105NO28/c1-26(11-10-12-27(2)55(83)67-39-28(3)29(4)86-56(39)84)31-15-17-64(9)37-14-13-36-62(6,7)38(16-18-65(36)25-66(37,65)20-19-63(31,64)8)92-60-53(48(79)43(74)34(23-70)90-60)95-61-54(94-57-50(81)45(76)40(71)30(5)87-57)49(80)44(75)35(91-61)24-85-59-52(47(78)42(73)33(22-69)89-59)93-58-51(82)46(77)41(72)32(21-68)88-58/h10-12,26,28-54,57-61,68-82H,13-25H2,1-9H3,(H,67,83)/b11-10+,27-12-
InChIKey: YESXDRLGKLNNAE-YPJQZQIOSA-N
Reference
CAS: 158754-07-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heinsia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1360.5450000000008
TPSA？: 451.15
MolLogP？: -2.8601999999999874
Number of H-Donors: 16
Number of H-Acceptors: 28
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|