Glycoside
GD124331
Name:
NoneFormula:
C47H76O17Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3COC(OC4CCC5(C)C6CCC78C(=O)OC(C)(CC(O)CC(C)C)C7CCC8(C)C6=CCC5C4(C)C)C(O)C3O)C2O)C1OAglycone:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 252.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD20003
Formula: C30H48O4
Smiles:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
