Glycoside
GD128996
Name:
NoneFormula:
C41H64O15Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4C5C(=O)C(O)=C(C(C)CC(=O)C(C)C(C)C)C5(C)CCC43)C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 238.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD52253
Formula: C28H44O4
Smiles:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
