Glycoside
GD018440
Name:
NoneFormula:
C30H36O8N6Smiles:
C[C@@]12CC[C@@H]3c4ccc(OCCOC[C@@H]5OC(n6cnc7c(N)ncnc76)[C@H](O)[C@H]5O)c([N+](=O)[O-])c4CC[C@H]3[C@H]1CCC2=OAglycone:
COCCOc1ccc2c(c1[N+](=O)[O-])CCC1C2CCC2(C)C(=O)CCC12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.65 | Num_heavy_atoms: | 44 |
| TPSA: | 197.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13008
Formula: C21H27O5N
Smiles:
COCCOc1ccc2c(c1[N+](=O)[O-])CCC1C2CCC2(C)C(=O)CCC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.45 | Num_heavy_atoms: | 27 |
| TPSA: | 78.67 | NumAromaticRings: | 1 |
