Glycoside
GD151822
Name:
Cucurbitoside DFormula:
C25H30O13Smiles:
O=C(OCC1(O)COC(OC2C(Oc3ccc(CO)cc3)OC(CO)C(O)C2O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
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 |
AD02945
Formula: C7H8O2
Smiles:
OCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
