Glycoside
GD129442
Name:
2-[4-(4-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]methyl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dimethoxyphenyl}-hexahydrofuro[3,4-c]furan-1-yl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H56O21Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5CC5OCC(O)(CO)C5O)c(OC)c4)OCC23)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(CC2OCC(O)(CO)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 15 |
| MolWt: | 872.87 | Num_heavy_atoms: | 61 |
| TPSA: | 303.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD02930
Formula: C22H26O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
