Glycoside
GD125675
Name:
2-(16-{[2-(acetyloxy)-5-{[3-(acetyloxy)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3,4,6-trihydroxyhexanoyl]oxy}heptadecyl)-6-hydroxybenzoic acidFormula:
C41H66O16Smiles:
CC(=O)OC(C(=O)OC(C)CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)C(O)C(O)C(CO)OC1OC(CO)C(C)C(O)C1OC(C)=OAglycone:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)OSugarmoiety:
CC(=O)OC(C(=O)OO)C(O)C(O)C(CO)OC1OC(CO)C(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 28 |
| MolWt: | 814.96 | Num_heavy_atoms: | 57 |
| TPSA: | 256.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD15612
Formula: C24H40O3
Smiles:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 376.58 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
