Glycoside
GD093597
Name:
NoneFormula:
C20H28O9N5Smiles:
C[C@H]([C@H]([NH3+])C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](N2C=CC(=O)NC2)[C@@H](O)[C@H]1O)[C@@H](O)c1ccc(O)cn1Aglycone:
CC(C([NH3+])C(=O)NCC(=O)O)C(O)c1ccc(O)cn1.O=C1C=CNCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.47 | Num_heavy_atoms: | 34 |
| TPSA: | 229.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD40413
Formula: C12H18O5N3
Smiles:
CC(C([NH3+])C(=O)NCC(=O)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.29 | Num_heavy_atoms: | 20 |
| TPSA: | 147.39 | NumAromaticRings: | 1 |
AD40429
Formula: C4H6ON2
Smiles:
O=C1C=CNCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
