Glycoside
GD003058
Name:
NoneFormula:
C23H34O12N2FPSmiles:
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC[C@@H]1O[C@H](c2ccnc(C(N)=O)c2F)[C@H](O)[C@H]1OAglycone:
COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C.NC(=O)c1ncccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.5 | Num_heavy_atoms: | 39 |
| TPSA: | 203.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD00450
Formula: C6H5ON2F
Smiles:
NC(=O)c1ncccc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.12 | Num_heavy_atoms: | 10 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
AD02820
Formula: C13H25O8P
Smiles:
COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.85 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 340.31 | Num_heavy_atoms: | 22 |
| TPSA: | 97.36 | NumAromaticRings: | 0 |
