Glycoside
GD144783
Name:
OrmocarpinFormula:
C42H42O20Smiles:
O=C1c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC1c1ccc(O)cc1Aglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 866.78 | Num_heavy_atoms: | 62 |
| TPSA: | 332.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD51654
Formula: C30H22O10
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.5 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
