Glycoside
GD136995
Name:
2-hydroxynonadec-10-en-1-yl 2-{6-[(6-{[1-(hexadecyloxy)-3-hydroxypropan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}acetateFormula:
C51H96O15Smiles:
CCCCCCCCC=CCCCCCCCC(O)COC(=O)CC1OC(OCC2OC(OC(CO)COCCCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(O)COC(C)=O.CCCCCCCCCCCCCCCCOCC(O)COSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 42 |
| MolWt: | 949.31 | Num_heavy_atoms: | 66 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
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 |
