Glycoside
GD122022
Name:
2-(1-hydroxy-2-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-inden-1-yl)acetic acidFormula:
C17H20O10Smiles:
O=C(O)CC1(O)C(=O)Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc21Aglycone:
O=C(O)CC1(O)C(=O)Cc2ccc(O)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.34 | Num_heavy_atoms: | 27 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD49147
Formula: C11H10O5
Smiles:
O=C(O)CC1(O)C(=O)Cc2ccc(O)cc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.2 | Num_heavy_atoms: | 16 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
