Glycoside
GD146735
Name:
Isopyrenin 7-O-GlucosideFormula:
C29H34O17Smiles:
COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc(OC)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD08658
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O| 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 |
