Glycoside

GD016188
Name:
NoneFormula:
C29H34O15N4SSmiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1)OC(C)=OAglycone:
C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
HBA: | 19 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.41 |
AlogP: | 0.02 | Num_rotatable_bonds: | 14 |
MolWt: | 710.67 | Num_heavy_atoms: | 49 |
TPSA: | 247.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD11690
Formula: C14H14O5N4S
Smiles:
C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1HBA: | 9 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.14 |
AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
MolWt: | 350.36 | Num_heavy_atoms: | 24 |
TPSA: | 116.22 | NumAromaticRings: | 1 |