Glycoside
GD094577
Name:
NoneFormula:
C19H21O8N4ClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(-n3ncc(=O)[nH]c3=O)ccc2Cl)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc(-n2ncc(=O)[nH]c2=O)ccc1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.84 | Num_heavy_atoms: | 31 |
| TPSA: | 176.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD40528
Formula: C13H11O4N4Cl
Smiles:
O=C(NCCO)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.7 | Num_heavy_atoms: | 21 |
| TPSA: | 117.08 | NumAromaticRings: | 2 |
