Glycoside
GD151943
Name:
NoneFormula:
C32H60O14Smiles:
CCCCCCCCCCCCCCCOCC(O)COC1OC(CO)C(O)C(OC2OC(COC(C)=O)C(O)C(O)C2O)C1OAglycone:
CCCCCCCCCCCCCCCOCC(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: | 0.67 | Num_rotatable_bonds: | 24 |
| MolWt: | 668.82 | Num_heavy_atoms: | 46 |
| 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 |
AD49090
Formula: C18H38O3
Smiles:
CCCCCCCCCCCCCCCOCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 17 |
| MolWt: | 302.5 | Num_heavy_atoms: | 21 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
