Glycoside
GD142482
Name:
2-{[2-({3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H42O17Smiles:
COc1ccc(CCOC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)cc1OAglycone:
COc1ccc(CCO)cc1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | -4.56 | Num_rotatable_bonds: | 11 |
| MolWt: | 638.62 | Num_heavy_atoms: | 44 |
| TPSA: | 266.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
