Glycoside
GD136788
Name:
Abutiloside DFormula:
C50H84O22Smiles:
CC(CCC(=O)C(C)C1C(O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 16 |
| MolWt: | 1037.2 | Num_heavy_atoms: | 72 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD48791
Formula: C27H46O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
