Glycoside
GD133460
Name:
NoneFormula:
C42H66O22Smiles:
C=C1CC23CCC4C(CCCC4(C)C(=O)OC4OC(CO)C(O)C(O)C4O)C2CCC1(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OCC(O)C(O)C1O)C3Aglycone:
C=C1CC23CCC4C(CCCC4(C)C(=O)O)C2CCC1(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 922.97 | Num_heavy_atoms: | 64 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD49124
Formula: C19H28O3
Smiles:
C=C1CC23CCC4C(CCCC4(C)C(=O)O)C2CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.43 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
