Glycoside
GD002162
Name:
NoneFormula:
C32H28O8N6Smiles:
C[C@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(N)nc(NO)nc21Aglycone:
COC(=O)c1ccccc1.Nc1nc(NO)nc2c1N=C[N]2.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.61 | Num_heavy_atoms: | 46 |
| TPSA: | 190.01 | 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 |
AD02092
Formula: C5H5ON6
Smiles:
Nc1nc(NO)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.14 | Num_heavy_atoms: | 12 |
| TPSA: | 110.52 | NumAromaticRings: | 1 |
