Glycoside
GD024319
Name:
NoneFormula:
C29H36O7N8SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC56CC7CC(CC(C7)C5)C6)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.72 | Num_heavy_atoms: | 45 |
| TPSA: | 209.69 | 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 |
AD16246
Formula: C22H24O3N7S
Smiles:
O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.55 | Num_heavy_atoms: | 33 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
