Glycoside
GD148309
Name:
NoneFormula:
C41H70O16Smiles:
COC1COC(OC2C(OCC(C=CC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)CC5C(O)CC34O)C(C)CO)OC(C(O)CO)C2O)C(OC)C1OAglycone:
CC(C=CC(CO)C(C)CO)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1COC(OC2C(O)OC(C(O)CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 14 |
| MolWt: | 819.0 | Num_heavy_atoms: | 57 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD59355
Formula: C28H48O7
Smiles:
CC(C=CC(CO)C(C)CO)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.69 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
