Glycoside

GD108692
Name:
[3,4,5-tris(acetyloxy)-6-[(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]oxan-2-yl]methyl acetateFormula:
C24H25O11NSSmiles:
CC(=O)OC[C@H]1O[C@@H](SC2=C(N)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC1=C(S)C(=O)c2ccccc2C1=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.42 |
AlogP: | 1.05 | Num_rotatable_bonds: | 7 |
MolWt: | 535.53 | Num_heavy_atoms: | 37 |
TPSA: | 174.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44466
Formula: C10H7O2NS
Smiles:
NC1=C(S)C(=O)c2ccccc2C1=OHBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.17 | Num_rotatable_bonds: | 0 |
MolWt: | 205.24 | Num_heavy_atoms: | 14 |
TPSA: | 60.16 | NumAromaticRings: | 1 |