Glycoside
GD023354
Name:
NoneFormula:
C36H42O8N3F3Smiles:
CC(C)[C@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@H](O)[C@H](OCc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)C(=O)NCC(F)(F)FAglycone:
CC(C)C(N)C(=O)NCC(F)(F)F.Cc1ccccc1.Cc1ccccc1.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 16 |
| MolWt: | 701.74 | Num_heavy_atoms: | 50 |
| TPSA: | 166.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD15718
Formula: C7H13ON2F3
Smiles:
CC(C)C(N)C(=O)NCC(F)(F)F| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.19 | Num_heavy_atoms: | 13 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
