Glycoside
GD021357
Name:
NoneFormula:
C35H36O7N4SSmiles:
NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1Aglycone:
COCc1ccccc1.NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 15 |
| MolWt: | 656.76 | Num_heavy_atoms: | 47 |
| TPSA: | 137.02 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07214
Formula: C9H10O3N4S
Smiles:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.27 | Num_heavy_atoms: | 17 |
| TPSA: | 111.1 | NumAromaticRings: | 2 |
