Glycoside

GD132143
Name:
(3,4,5-trihydroxy-6-{4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxan-2-yl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C36H44O16Smiles:
COc1cc(C(=O)OCC2OC(Oc3c(OC)cc(C4Oc5c(OC)cc(CCCO)cc5C4CO)cc3OC)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.47 |
AlogP: | 1.61 | Num_rotatable_bonds: | 15 |
MolWt: | 732.73 | Num_heavy_atoms: | 52 |
TPSA: | 221.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1HBA: | 5 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.3 |
AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
MolWt: | 212.2 | Num_heavy_atoms: | 15 |
TPSA: | 64.99 | NumAromaticRings: | 1 |
AD16007
Formula: C21H26O7
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OHBA: | 7 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.43 |
AlogP: | 2.55 | Num_rotatable_bonds: | 8 |
MolWt: | 390.43 | Num_heavy_atoms: | 28 |
TPSA: | 97.61 | NumAromaticRings: | 2 |