Glycoside
GD146568
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-phenylacetateFormula:
C20H28O12Smiles:
O=C(Cc1ccccc1)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)Cc1ccccc1Sugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.43 | Num_heavy_atoms: | 32 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00908
Formula: C9H10O2
Smiles:
COC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
