Glycoside
GD148882
Name:
NoneFormula:
C40H68O17Smiles:
COC1C(OC2C(OCC(C=CC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)C(C)CO)OC(C(O)CO)C2O)OCC(O)C1OAglycone:
CC(C=CC(CO)C(C)CO)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(OC2C(O)OC(C(O)CO)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 13 |
| MolWt: | 820.97 | Num_heavy_atoms: | 57 |
| TPSA: | 288.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD59556
Formula: C28H48O8
Smiles:
CC(C=CC(CO)C(C)CO)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.68 | Num_heavy_atoms: | 36 |
| TPSA: | 161.84 | NumAromaticRings: | 0 |
