Glycoside
GD150155
Name:
Copteroside HFormula:
C47H72O20Smiles:
CC1(C)CC(C(=O)OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1Aglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 957.07 | Num_heavy_atoms: | 67 |
| TPSA: | 329.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD55798
Formula: C30H46O5
Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
