Glycoside
GD156292
Name:
(3,4,5-trihydroxy-6-{[4-(2-hydroxyethyl)-3-(methoxycarbonyl)-2-methylcyclopentyl]oxy}oxan-2-yl)methyl 4-hydroxybenzoateFormula:
C23H32O11Smiles:
COC(=O)C1C(CCO)CC(OC2OC(COC(=O)c3ccc(O)cc3)C(O)C(O)C2O)C1CAglycone:
COC(=O)C1C(CCO)CC(O)C1C.COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.5 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
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 |
AD61901
Formula: C10H18O4
Smiles:
COC(=O)C1C(CCO)CC(O)C1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.25 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
