Glycoside
GD128066
Name:
2-(4-{2-[2,6-dimethoxy-4-(3-methoxyprop-1-en-1-yl)phenoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H50O18Smiles:
COCC=Cc1cc(OC)c(OC(COC2OC(CO)C(O)C(O)C2O)Cc2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)c(OC)c1Aglycone:
COCC=Cc1cc(OC)c(OC(CO)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 18 |
| MolWt: | 758.77 | Num_heavy_atoms: | 53 |
| TPSA: | 254.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD51877
Formula: C23H30O8
Smiles:
COCC=Cc1cc(OC)c(OC(CO)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 434.49 | Num_heavy_atoms: | 31 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
