Glycoside
GD012213
Name:
NoneFormula:
C28H31O6N7Smiles:
CC(CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
CC(CNC(=O)C(Cc1ccccc1)NC=O)c1ccccc1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 561.6 | Num_heavy_atoms: | 41 |
| TPSA: | 197.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD09223
Formula: C19H22O2N2
Smiles:
CC(CNC(=O)C(Cc1ccccc1)NC=O)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 310.4 | Num_heavy_atoms: | 23 |
| TPSA: | 58.2 | NumAromaticRings: | 2 |
