Glycoside
GD010968
Name:
NoneFormula:
C23H23O7N7SSmiles:
O=C(CCc1c[nH]c2ccccc12)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncn3ccnc23)[N]1.COS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.55 | Num_heavy_atoms: | 38 |
| TPSA: | 185.96 | NumAromaticRings: | 5 |
Unique Aglycone
AD07502
Formula: C7H4N5
Smiles:
C1=Nc2c(ncn3ccnc23)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
AD08412
Formula: C12H14O4N2S
Smiles:
COS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.32 | Num_heavy_atoms: | 19 |
| TPSA: | 88.26 | NumAromaticRings: | 2 |
