Glycoside
GD027925
Name:
NoneFormula:
C24H31O11N5SSmiles:
CO[C@H]1[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1[C@H](O[C@@H]1OC(C(=O)Nc2nc(C(C)(C)C)cs2)=C[C@H](O)[C@H]1O)C(N)=OAglycone:
CC(C)(C)c1csc(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)n1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 597.6 | Num_heavy_atoms: | 41 |
| TPSA: | 237.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18304
Formula: C15H21O6N3S
Smiles:
CC(C)(C)c1csc(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)n1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.42 | Num_heavy_atoms: | 25 |
| TPSA: | 144.0 | NumAromaticRings: | 1 |
