Glycoside
GD130501
Name:
StenopalusideFormula:
C38H66O14Smiles:
CC(CCC(C)OC1OC(CO)C(O)C(O)C1O)=C(C)C(=O)CCC(C)(CCC(C)OC1OC(CO)C(O)C(O)C1O)C1C(C)CC(=O)CC1(C)CAglycone:
CC(CCC(C)O)=C(C)C(=O)CCC(C)(CCC(C)O)C1C(C)CC(=O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 17 |
| MolWt: | 746.93 | Num_heavy_atoms: | 52 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD52886
Formula: C26H46O4
Smiles:
CC(CCC(C)O)=C(C)C(=O)CCC(C)(CCC(C)O)C1C(C)CC(=O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.65 | Num_heavy_atoms: | 30 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
