Glycoside
GD035679
Name:
NoneFormula:
C14H20O8N4Smiles:
C[C@H](N)C(=O)N(C)[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CC(N)C(=O)N(C)CC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.33 | Num_heavy_atoms: | 26 |
| TPSA: | 188.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD22564
Formula: C6H12O3N2
Smiles:
CC(N)C(=O)N(C)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 83.63 | NumAromaticRings: | 0 |
