Glycoside
GD118633
Name:
2-({4-[(3,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-{2-hydroxy-1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethoxy}-2-methyloxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H42O17Smiles:
CC1OC(OC2C(O)C(OC(CO)C3OCC(CO)O3)OC(C)C2OC2OC(CO)C(O)C(O)C2O)C(O)CC1OAglycone:
OCC1COC(C(O)CO)O1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(C)C2OC2OC(CO)C(O)C(O)C2O)C(O)CC1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -5.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.58 | Num_heavy_atoms: | 41 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47453
Formula: C6H12O5
Smiles:
OCC1COC(C(O)CO)O1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.16 | Num_heavy_atoms: | 11 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
