Glycoside
GD025395
Name:
NoneFormula:
C39H47O10N11SSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@H]67)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)Nc3ccc(OC(=O)CCCCC4SCC5NC(=O)NC54)c([N+](=O)[O-])c3)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 18 |
| MolWt: | 861.94 | Num_heavy_atoms: | 61 |
| TPSA: | 300.11 | 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 |
AD16844
Formula: C32H35O6N10S
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)Nc3ccc(OC(=O)CCCCC4SCC5NC(=O)NC54)c([N+](=O)[O-])c3)cc2)nc2c1N=C[N]2| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 15 |
| MolWt: | 687.76 | Num_heavy_atoms: | 49 |
| TPSA: | 229.96 | NumAromaticRings: | 3 |
