Glycoside
GD143962
Name:
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C21H32O12Smiles:
COc1cc(C(C)O)ccc1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C(C)O)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD57882
Formula: C9H12O3
Smiles:
COc1cc(C(C)O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
