Glycoside
GD013731
Name:
FIRMIANONE BFormula:
C36H38O12Smiles:
CC1=C[C@@H]2c3c(c(O)c4ccccc4c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@]3(O)c4cccc(O)c4C(=O)[C@@]2(C=CC(C)(C)O)[C@@]3(O)C1Aglycone:
CC1=CC2c3c(c(O)c4ccccc4c3O)C3(O)c4cccc(O)c4C(=O)C2(C=CC(C)(C)O)C3(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.69 | Num_heavy_atoms: | 48 |
| TPSA: | 217.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD10200
Formula: C30H28O7
Smiles:
CC1=CC2c3c(c(O)c4ccccc4c3O)C3(O)c4cccc(O)c4C(=O)C2(C=CC(C)(C)O)C3(O)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.55 | Num_heavy_atoms: | 37 |
| TPSA: | 138.45 | NumAromaticRings: | 3 |
