Glycoside
GD135502
Name:
Cynascyroside DFormula:
C40H60O13Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CC5=CCC6C(=O)C(c7ccoc7C)CCC6C5(C)CC4O)CC3OC)OC2C)OC(C)C1OAglycone:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 748.91 | Num_heavy_atoms: | 53 |
| TPSA: | 164.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD46211
Formula: C20H26O4
Smiles:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
