Glycoside
GD137509
Name:
2-[3-(2-{2,6-dimethoxy-4-[4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenoxy}-3-hydroxypropyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H58O21Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC(CO)Cc5ccc(OC)c(OC6OC(CO)C(O)C(O)C6O)c5OC)c(OC)c4)OCC23)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(OC(CO)Cc5ccc(OC)c(O)c5OC)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 18 |
| MolWt: | 922.93 | Num_heavy_atoms: | 65 |
| TPSA: | 292.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD55552
Formula: C32H38O11
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC(CO)Cc5ccc(OC)c(O)c5OC)c(OC)c4)OCC23)ccc1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 598.65 | Num_heavy_atoms: | 43 |
| TPSA: | 134.53 | NumAromaticRings: | 3 |
