Glycoside
GD000043
Name:
NoneFormula:
C27H26O7N4SSmiles:
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)n5)cc4c23)CCC1Aglycone:
NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 550.59 | Num_heavy_atoms: | 39 |
| TPSA: | 177.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD00062
Formula: C21H16O2N4S
Smiles:
NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.45 | Num_heavy_atoms: | 28 |
| TPSA: | 100.87 | NumAromaticRings: | 4 |
