Glycoside
GD137131
Name:
NoneFormula:
C34H44O19Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)cc4OC4CC(CO)C(O)C(O)C4O)OC3c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCC1CC(Oc2cc(O)cc3c2C=C(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.59 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 318.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD55417
Formula: C22H24O10
Smiles:
OCC1CC(Oc2cc(O)cc3c2C=C(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
