Glycoside
GD150303
Name:
NoneFormula:
C33H62O14Smiles:
CCCCCCCCCCCCCCCCOCC(O)COC1OC(CO)C(O)C(OC2OC(COC(C)=O)C(O)C(O)C2O)C1OAglycone:
CCCCCCCCCCCCCCCCOCC(O)CO.COC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 25 |
| MolWt: | 682.85 | Num_heavy_atoms: | 47 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD05501
Formula: C19H40O3
Smiles:
CCCCCCCCCCCCCCCCOCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 18 |
| MolWt: | 316.53 | Num_heavy_atoms: | 22 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
