Glycoside
GD143244
Name:
OsladinFormula:
C45H74O17Smiles:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC23C)OC1OC1OC(C)C(O)C(O)C1OAglycone:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)OC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 887.07 | Num_heavy_atoms: | 62 |
| TPSA: | 263.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD57624
Formula: C27H44O4
Smiles:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)OC1O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
