Glycoside
GD013354
Name:
NoneFormula:
C32H36O15N4P2S2Smiles:
O=c1nc(SCc2ccccc2)ccn1[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(SCc4ccccc4)nc3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC.O=c1nc(SCc2ccccc2)cc[nH]1.O=c1nc(SCc2ccccc2)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 16 |
| MolWt: | 842.74 | Num_heavy_atoms: | 55 |
| TPSA: | 271.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD09975
Formula: C11H10ON2S
Smiles:
O=c1nc(SCc2ccccc2)cc[nH]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.28 | Num_heavy_atoms: | 15 |
| TPSA: | 45.75 | NumAromaticRings: | 2 |
