Glycoside
GD001797
Name:
NoneFormula:
C21H30O11N4SSmiles:
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)NCCCSC)=C[C@H](O)[C@H]1O)C(N)=OAglycone:
CSCCCNC(=O)C1=CC(O)C(O)C(OCC(N)=O)O1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 546.56 | Num_heavy_atoms: | 37 |
| TPSA: | 224.66 | NumAromaticRings: | 1 |
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 |
AD01760
Formula: C12H20O6N2S
Smiles:
CSCCCNC(=O)C1=CC(O)C(O)C(OCC(N)=O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 320.37 | Num_heavy_atoms: | 21 |
| TPSA: | 131.11 | NumAromaticRings: | 0 |
