Glycoside
GD126036
Name:
5-(acetyloxy)-3-ethoxy-3-hydroxy-2-methyl-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}cyclopentyl 4-(acetyloxy)-3-methoxybenzoateFormula:
C34H44O19Smiles:
CCOC1(O)C(C)C(OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CCOC1(O)C(C)C(OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(OC(C)=O)C1O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 14 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 241.25 | NumAromaticRings: | 1 |
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 |
AD50980
Formula: C20H26O10
Smiles:
CCOC1(O)C(C)C(OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(OC(C)=O)C1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 137.82 | NumAromaticRings: | 1 |
