Glycoside

GD151013
Name:
4-(acetyloxy)-2,5-dihydroxy-6-{[(2-hydroxypropyl)amino]methyl}oxan-3-yl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoateFormula:
C29H37O10NSmiles:
COc1cc(C=C(CCc2ccccc2)C(=O)OC2C(O)OC(CNCC(C)O)C(O)C2OC(C)=O)ccc1OAglycone:
CNCC(C)O.COc1cc(C=C(CCc2ccccc2)C(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.45 |
AlogP: | 1.31 | Num_rotatable_bonds: | 12 |
MolWt: | 559.61 | Num_heavy_atoms: | 40 |
TPSA: | 164.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD48707
Formula: C18H18O4
Smiles:
COc1cc(C=C(CCc2ccccc2)C(=O)O)ccc1OHBA: | 4 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.17 |
AlogP: | 3.5 | Num_rotatable_bonds: | 6 |
MolWt: | 298.34 | Num_heavy_atoms: | 22 |
TPSA: | 66.76 | NumAromaticRings: | 2 |
AD49499
Formula: C4H11ON
Smiles:
CNCC(C)OHBA: | 2 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
MolWt: | 89.14 | Num_heavy_atoms: | 6 |
TPSA: | 32.26 | NumAromaticRings: | 0 |