Glycoside
GD027152
Name:
NoneFormula:
C26H34O6N9BrSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(CC(=O)O)cc5Br)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCN2CCN(c3ccc(CC(=O)O)cc3Br)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 648.52 | Num_heavy_atoms: | 42 |
| TPSA: | 204.22 | NumAromaticRings: | 3 |
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 |
AD17873
Formula: C19H22O2N8Br
Smiles:
Nc1nc(NCCN2CCN(c3ccc(CC(=O)O)cc3Br)CC2)nc2c1N=C[N]2| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.34 | Num_heavy_atoms: | 30 |
| TPSA: | 134.07 | NumAromaticRings: | 2 |
