Glycoside
GD036088
Name:
OubainFormula:
C29H44O12Smiles:
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 584.66 | Num_heavy_atoms: | 41 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD01013
Formula: C23H34O8
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 438.52 | Num_heavy_atoms: | 31 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
