Glycoside
GD000833
Name:
Hydragenoside AFormula:
C31H40O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CC(=O)CCc2ccc(O)cc2)O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CC(=O)CCc2ccc(O)cc2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 620.65 | Num_heavy_atoms: | 44 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00871
Formula: C25H30O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CC(=O)CCc2ccc(O)cc2)O1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.51 | Num_heavy_atoms: | 33 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
