Glycoside
GD008469
Name:
Gluco-AurantioobtusinFormula:
C23H24O12Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=OAglycone:
COc1c(O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD06761
Formula: C17H14O7
Smiles:
COc1c(O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
