Glycoside
GD148142
Name:
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{2-methoxy-4-[(4-methoxybenzoyloxy)methyl]phenoxy}oxan-2-yl)methoxy]oxolan-3-yl}methyl 4-hydroxybenzoateFormula:
C34H38O16Smiles:
COc1ccc(C(=O)OCc2ccc(OC3OC(COC4OCC(O)(COC(=O)c5ccc(O)cc5)C4O)C(O)C(O)C3O)c(OC)c2)cc1Aglycone:
COC(=O)c1ccc(O)cc1.COc1ccc(C(=O)OCc2ccc(O)c(OC)c2)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.66 | Num_heavy_atoms: | 50 |
| TPSA: | 229.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| 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 |
AD59296
Formula: C16H16O5
Smiles:
COc1ccc(C(=O)OCc2ccc(O)c(OC)c2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
