Glycoside
GD121316
Name:
methyl 4-methoxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoateFormula:
C20H28O13Smiles:
COC(=O)c1ccc(OC)cc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)c1ccc(OC)cc1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.43 | Num_heavy_atoms: | 33 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD03506
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(OC)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
