Glycoside
GD122368
Name:
Skullcapflavone I 2'-(2''-E-Cinnamoylglucoside)Formula:
C32H30O12Smiles:
COc1cc(O)c2c(=O)cc(-c3ccccc3OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccccc3)oc2c1OCAglycone:
COc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1OC.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 606.58 | Num_heavy_atoms: | 44 |
| TPSA: | 174.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD47347
Formula: C17H14O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
