Glycoside
GD146837
Name:
2-hydroxynonadec-10-en-1-yl 2-{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[1-hydroxy-3-(octadec-4-en-1-yloxy)propan-2-yl]oxy}oxan-2-yl)methoxy]oxan-2-yl}acetateFormula:
C53H98O15Smiles:
CCCCCCCCC=CCCCCCCCC(O)COC(=O)CC1OC(OCC2OC(OC(CO)COCCCC=CCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(O)COC(C)=O.CCCCCCCCCCCCCC=CCCCOCC(O)COSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 7.38 | Num_rotatable_bonds: | 43 |
| MolWt: | 975.35 | Num_heavy_atoms: | 68 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD51184
Formula: C21H40O3
Smiles:
CCCCCCCCC=CCCCCCCCC(O)COC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 17 |
| MolWt: | 340.55 | Num_heavy_atoms: | 24 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD58848
Formula: C21H42O3
Smiles:
CCCCCCCCCCCCCC=CCCCOCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 19 |
| MolWt: | 342.56 | Num_heavy_atoms: | 24 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
