Glycoside
GD113799
Name:
NoneFormula:
C32H31O6N5SSmiles:
COc1ccc(C(O[C@H]2O[C@H](n3cnc4c(=S)[nH]c(N)nc43)C[C@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1nc2c(c(=S)[nH]1)N=C[N]2Sugarmoiety:
CC(=O)OC1CC(O)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 613.7 | Num_heavy_atoms: | 44 |
| TPSA: | 135.74 | NumAromaticRings: | 5 |
Unique Aglycone
AD03762
Formula: C5H4N5S
Smiles:
Nc1nc2c(c(=S)[nH]1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.19 | Num_heavy_atoms: | 11 |
| TPSA: | 81.16 | NumAromaticRings: | 1 |
AD44523
Formula: C21H20O3
Smiles:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.39 | Num_heavy_atoms: | 24 |
| TPSA: | 38.69 | NumAromaticRings: | 3 |
