Glycoside
GD014035
Name:
IMMUNICILLIN HFormula:
C11H13O5N3Smiles:
O=c1[nH]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.24 | Num_heavy_atoms: | 19 |
| TPSA: | 120.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD07880
Formula: C6H4ON3
Smiles:
O=c1[nH]cnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 59.85 | NumAromaticRings: | 1 |
