Glycoside
GD015834
Name:
NoneFormula:
C29H36O7N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]cn5)C(=O)O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)NC(Cc3c[nH]cn3)C(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.41 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 14 |
| MolWt: | 636.67 | Num_heavy_atoms: | 46 |
| TPSA: | 255.52 | 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 |
AD11460
Formula: C22H24O3N9
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)NC(Cc3c[nH]cn3)C(=O)O)cc2)nc2c1N=C[N]2| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 462.49 | Num_heavy_atoms: | 34 |
| TPSA: | 185.37 | NumAromaticRings: | 3 |
