Glycoside
GD004068
Name:
NoneFormula:
C30H39O5N5Smiles:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O[C@@H]1C(O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 549.67 | Num_heavy_atoms: | 40 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
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 |
AD03608
Formula: C20H28O2
Smiles:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.44 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
