Glycoside
GD133561
Name:
Coumoside AFormula:
C58H92O27Smiles:
CC12CCC3(COC1=O)C(O)CC1(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC41C)C3C2Aglycone:
CC12CCC3(COC1=O)C(O)CC1(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC41C)C3C2Sugarmoiety:
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 12 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -3.94 | Num_rotatable_bonds: | 13 |
| MolWt: | 1221.35 | Num_heavy_atoms: | 85 |
| TPSA: | 422.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD08979
Formula: C30H46O4
Smiles:
CC12CCC3(COC1=O)C(O)CC1(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC41C)C3C2| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD05041
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O