Glycoside

GD152588
Name:
5,6,14-trihydroxy-4-(hydroxymethyl)-13-methoxy-12-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-3,8-dioxatricyclo[8.4.0.0²,â·]tetradeca-1(10),11,13-trien-9-oneFormula:
C20H26O14Smiles:
COc1c(OC2OC(OC)C(O)C(O)C2O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=OAglycone:
COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.65 |
AlogP: | -3.12 | Num_rotatable_bonds: | 5 |
MolWt: | 490.41 | Num_heavy_atoms: | 34 |
TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD08902
Formula: C14H16O9
Smiles:
COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=OHBA: | 9 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.5 |
AlogP: | -1.2 | Num_rotatable_bonds: | 2 |
MolWt: | 328.27 | Num_heavy_atoms: | 23 |
TPSA: | 145.91 | NumAromaticRings: | 1 |