Glycoside
GD141888
Name:
Maetenoside AFormula:
C65H104O30Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12COAglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12COSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 10 |
| HBD: | 17 | FractionCSP3: | 0.91 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 17 |
| MolWt: | 1365.52 | Num_heavy_atoms: | 95 |
| TPSA: | 479.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD06963
Formula: C35H56O5
Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.83 | Num_heavy_atoms: | 40 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD08771
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O