Glycoside
GD017906
Name:
NoneFormula:
C30H29O9NF2Smiles:
O=C(O)[C@@H]1O[C@H](Oc2ccc([C@@H]3[C@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.56 | Num_heavy_atoms: | 42 |
| TPSA: | 156.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD04113
Formula: C24H21O3NF2
Smiles:
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.43 | Num_heavy_atoms: | 30 |
| TPSA: | 60.77 | NumAromaticRings: | 3 |
