Glycoside
GD153023
Name:
Glinuside DFormula:
C47H80O16Smiles:
CC1OC(OC2C(CO)OC(OC(C)(C)C3CCC4(C)C3C(O)CC3(C)C4CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 901.14 | Num_heavy_atoms: | 63 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48084
Formula: C30H52O3
Smiles:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
