Glycoside
GD137933
Name:
methyl 2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}benzoateFormula:
C20H28O13Smiles:
COC(=O)c1ccccc1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1ccccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.43 | Num_heavy_atoms: | 33 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD05895
Formula: C8H8O3
Smiles:
COC(=O)c1ccccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
