Glycoside
GD131092
Name:
lotoideside aFormula:
C52H88O21Smiles:
CC1OC(OC2C(OC3CCC4(C)C(C(OC5OCC(O)C(O)C5O)CC5(C)C4CCC4C6(C)CCC(C(C)(C)OC7OC(CO)C(O)C(O)C7O)C6C(O)CC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 1049.26 | Num_heavy_atoms: | 73 |
| TPSA: | 336.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45741
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
