Glycoside
GD000732
Name:
NoneFormula:
C33H27O8N2FSmiles:
O=C(O)[C@@H]1O[C@H](Oc2ccc(-c3ccc(OCc4ccc5ccccc5n4)cc3)c(-c3ccc(F)cc3)n2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.58 | Num_heavy_atoms: | 44 |
| TPSA: | 151.46 | NumAromaticRings: | 5 |
Unique Aglycone
AD00780
Formula: C27H19O2N2F
Smiles:
Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.04 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.46 | Num_heavy_atoms: | 32 |
| TPSA: | 55.24 | NumAromaticRings: | 5 |
