Glycoside

GD108765
Name:
[3,4,5-tris(acetyloxy)-6-[(5,8-dihydroxy-6,7-dimethyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy]oxan-2-yl]methyl acetateFormula:
C26H28O14Smiles:
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(O)c(C)c(C)c(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1c(C)c(O)c2c(c1O)C(=O)C=C(O)C2=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.46 |
AlogP: | 1.08 | Num_rotatable_bonds: | 7 |
MolWt: | 564.5 | Num_heavy_atoms: | 40 |
TPSA: | 198.26 | 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 |
AD44485
Formula: C12H10O5
Smiles:
Cc1c(C)c(O)c2c(c1O)C(=O)C=C(O)C2=OHBA: | 5 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.17 |
AlogP: | 1.54 | Num_rotatable_bonds: | 0 |
MolWt: | 234.21 | Num_heavy_atoms: | 17 |
TPSA: | 94.83 | NumAromaticRings: | 1 |