Glycoside
GD016790
Name:
NoneFormula:
C29H33O8N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.34 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 635.64 | Num_heavy_atoms: | 46 |
| TPSA: | 252.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12047
Formula: C22H21O4N8
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)nc2c1N=C[N]2| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.46 | Num_heavy_atoms: | 34 |
| TPSA: | 182.76 | NumAromaticRings: | 3 |
