Glycoside
GD006575
Name:
NoneFormula:
C31H35O9NF2SSmiles:
O=S(=O)(CC1OC(CO)C(O)C(O)C1O)Oc1ccc([C@@H]2[C@H](CCC(O)c3ccc(F)cc3)CN2c2ccc(F)cc2)cc1Aglycone:
CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)CN2c2ccc(F)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 635.68 | Num_heavy_atoms: | 44 |
| TPSA: | 156.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD05431
Formula: C25H25O4NF2S
Smiles:
CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)CN2c2ccc(F)cc2)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 473.54 | Num_heavy_atoms: | 33 |
| TPSA: | 66.84 | NumAromaticRings: | 3 |
