Glycoside
GD113882
Name:
NoneFormula:
C39H28O7N4Smiles:
O=C(OC[C@H]1O[C@@H](n2cnc3cc4nc5ccccc5nc4cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
C1=Nc2cc3nc4ccccc4nc3cc2[N]1.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 6.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.67 | Num_heavy_atoms: | 50 |
| TPSA: | 131.73 | NumAromaticRings: | 7 |
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 |
AD44835
Formula: C13H7N4
Smiles:
C1=Nc2cc3nc4ccccc4nc3cc2[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 219.23 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 3 |
