Glycoside
GD146670
Name:
2-(hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenoxy]oxane-3,4,5-triolFormula:
C27H40O17Smiles:
C=CCc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
C=CCc1cc(O)c(O)c(OC)c1Sugarmoiety:
CO.OC1COC(OCC2OOC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -4.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 636.6 | Num_heavy_atoms: | 44 |
| TPSA: | 266.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD08364
Formula: C10H12O3
Smiles:
C=CCc1cc(O)c(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
