Glycoside
GD019113
Name:
NoneFormula:
C34H24O7N8Smiles:
N#Cc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2nnnc(-n3cncn3)c12Aglycone:
COC(=O)c1ccccc1.N#CC1=C[N]c2nnnc(-n3cncn3)c21.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 656.61 | Num_heavy_atoms: | 49 |
| TPSA: | 186.23 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD13385
Formula: C8H3N8
Smiles:
N#CC1=C[N]c2nnnc(-n3cncn3)c21| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.17 | Num_heavy_atoms: | 16 |
| TPSA: | 107.27 | NumAromaticRings: | 2 |
