Glycoside
GD004720
Name:
NoneFormula:
C29H29O7N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(NC(=O)Nc2nc(C#CC(O)c3ccccc3)nc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 587.59 | Num_heavy_atoms: | 43 |
| TPSA: | 192.98 | 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 |
AD04081
Formula: C22H17O3N6
Smiles:
COc1ccc(NC(=O)Nc2nc(C#CC(O)c3ccccc3)nc3c2N=C[N]3)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.42 | Num_heavy_atoms: | 31 |
| TPSA: | 122.83 | NumAromaticRings: | 3 |
