Glycoside
GD011885
Name:
KUNZEAGIN AFormula:
C44H42O22Smiles:
Cc1c(O)c(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)c(=O)c3c2O)c2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c1OAglycone:
Cc1c(O)c(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c2O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.32 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 922.8 | Num_heavy_atoms: | 66 |
| TPSA: | 380.56 | NumAromaticRings: | 6 |
Unique Aglycone
AD09015
Formula: C32H22O14
Smiles:
Cc1c(O)c(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c2O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.06 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 630.51 | Num_heavy_atoms: | 46 |
| TPSA: | 262.72 | NumAromaticRings: | 6 |
