Glycoside
GD136312
Name:
TinocordisideFormula:
C21H32O7Smiles:
CC1=CC(=O)C2C3C(C(C)(C)OC4OC(CO)C(O)C(O)C4O)CCC2(C)C13Aglycone:
CC1=CC(=O)C2C3C(C(C)(C)O)CCC2(C)C13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD14400
Formula: C15H22O2
Smiles:
CC1=CC(=O)C2C3C(C(C)(C)O)CCC2(C)C13| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
