Glycoside
GD118234
Name:
7,8-dihydroxy-6-{[4-hydroxy-2-(1-hydroxy-2,2-dimethoxyethyl)oxolan-3-yl]oxy}-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acidFormula:
C17H28O13Smiles:
COC(OC)C(O)C1OCC(O)C1OC1OC2COC(C)(C(=O)O)OC2C(O)C1OAglycone:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1.COC(CO)OCSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.4 | Num_heavy_atoms: | 30 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD23779
Formula: C9H14O8
Smiles:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.2 | Num_heavy_atoms: | 17 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
AD47252
Formula: C4H10O3
Smiles:
COC(CO)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
