Glycoside
GD145763
Name:
MascarosideFormula:
C26H36O11Smiles:
CC12CC(=O)c3occc3C1CCC13CC(CC(O)C21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3OAglycone:
CC12CC(=O)c3occc3C1CCC13CC(CC(O)C21)C(O)(CO)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 190.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD58489
Formula: C20H26O6
Smiles:
CC12CC(=O)c3occc3C1CCC13CC(CC(O)C21)C(O)(CO)C3O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
