Glycoside
GD019494
Name:
NoneFormula:
C29H33O11N7S2Smiles:
COc1c(C)c2c(c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@@H]1O[C@H](n3cnc4c(N)nc(-c5ccccc5)nc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
CNS(=O)(=O)CS(=O)(=O)NCCc1c(O)c2c(c(C)c1OC)COC2=O.Nc1nc(-c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 719.76 | Num_heavy_atoms: | 49 |
| TPSA: | 267.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD01962
Formula: C11H8N5
Smiles:
Nc1nc(-c2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
AD09028
Formula: C14H20O8N2S2
Smiles:
CNS(=O)(=O)CS(=O)(=O)NCCc1c(O)c2c(c(C)c1OC)COC2=O| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.45 | Num_heavy_atoms: | 26 |
| TPSA: | 148.1 | NumAromaticRings: | 1 |
