Glycoside
GD011578
Name:
NoneFormula:
C32H23O8N5Smiles:
N#Cc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c2nc[nH]c(=O)c12Aglycone:
COC(=O)c1ccccc1.N#CC1=N[N]c2nc[nH]c(=O)c21.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 605.56 | Num_heavy_atoms: | 45 |
| TPSA: | 175.49 | NumAromaticRings: | 5 |
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 |
AD08835
Formula: C6H2ON5
Smiles:
N#CC1=N[N]c2nc[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 160.12 | Num_heavy_atoms: | 12 |
| TPSA: | 96.0 | NumAromaticRings: | 1 |
