Glycoside
GD119587
Name:
Iristectorigenin A 7-O-GentiobiosideFormula:
C29H34O17Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c(OC)c(O)c3c2=O)cc1OAglycone:
COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD15601
Formula: C17H14O7
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
