Glycoside
GD121363
Name:
2-(hydroxymethyl)-6-[(4-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydrophenanthren-2-yl)oxy]oxane-3,4,5-triolFormula:
C27H34O13Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1-c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1CC2Aglycone:
COc1cc(O)cc2c1-c1ccc(O)cc1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD48845
Formula: C15H14O3
Smiles:
COc1cc(O)cc2c1-c1ccc(O)cc1CC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
