Glycoside
GD150780
Name:
2-{2-hydroxy-3-[3-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)oxiran-2-yl]propyl}heptacos-2-enoic acidFormula:
C40H74O11Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC=C(CC(O)CC1OC1C(O)COC1OC(CO)C(O)C(O)C1O)C(=O)OAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC=C(CC(O)CC1OC1C(O)CO)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 33 |
| MolWt: | 731.02 | Num_heavy_atoms: | 51 |
| TPSA: | 189.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD60190
Formula: C34H64O6
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC=C(CC(O)CC1OC1C(O)CO)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 8.25 | Num_rotatable_bonds: | 30 |
| MolWt: | 568.88 | Num_heavy_atoms: | 40 |
| TPSA: | 110.52 | NumAromaticRings: | 0 |
