Glycoside
GD030221
Name:
NoneFormula:
C27H24O11N4SSmiles:
CS(=O)(=O)NN1C(=O)c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C1=OAglycone:
CS(=O)(=O)NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 612.57 | Num_heavy_atoms: | 43 |
| TPSA: | 234.88 | NumAromaticRings: | 5 |
Unique Aglycone
AD19567
Formula: C21H14O6N4S
Smiles:
CS(=O)(=O)NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.05 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 450.43 | Num_heavy_atoms: | 32 |
| TPSA: | 155.59 | NumAromaticRings: | 5 |
