Glycoside
GD122221
Name:
2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-4-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triolFormula:
C33H46O17Smiles:
COc1cc(CC2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 714.71 | Num_heavy_atoms: | 50 |
| TPSA: | 255.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD21025
Formula: C21H26O7
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
