Glycoside

GD121215
Name:
2-{[3,7-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O12Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.54 |
AlogP: | -1.04 | Num_rotatable_bonds: | 8 |
MolWt: | 538.55 | Num_heavy_atoms: | 38 |
TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD21122
Formula: C20H24O7
Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2CO)ccc1OHBA: | 7 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.4 |
AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
MolWt: | 376.41 | Num_heavy_atoms: | 27 |
TPSA: | 119.61 | NumAromaticRings: | 2 |