Glycoside
GD017006
Name:
NoneFormula:
C22H30O11N6Smiles:
O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(Cc1cnc[nH]1)NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -5.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.51 | Num_heavy_atoms: | 39 |
| TPSA: | 261.35 | NumAromaticRings: | 2 |
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 |
AD02227
Formula: C9H14O2N4
Smiles:
CNC(=O)C(Cc1cnc[nH]1)NC(C)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.24 | Num_heavy_atoms: | 15 |
| TPSA: | 86.88 | NumAromaticRings: | 1 |
