Glycoside

GD119767
Name:
2-[4-(2-{4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-1-hydroxypropyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H54O16Smiles:
COc1cc(C2OC(c3cc(OC)c(OC(C)C(O)c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)c(OC)c3)C(C)C2C)cc(OC)c1OCAglycone:
COc1cc(C(O)C(C)Oc2c(OC)cc(C3OC(c4cc(OC)c(OC)c(OC)c4)C(C)C3C)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.55 |
AlogP: | 3.51 | Num_rotatable_bonds: | 16 |
MolWt: | 790.86 | Num_heavy_atoms: | 56 |
TPSA: | 202.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD48043
Formula: C34H44O11
Smiles:
COc1cc(C(O)C(C)Oc2c(OC)cc(C3OC(c4cc(OC)c(OC)c(OC)c4)C(C)C3C)cc2OC)cc(OC)c1OHBA: | 11 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.47 |
AlogP: | 6.04 | Num_rotatable_bonds: | 13 |
MolWt: | 628.72 | Num_heavy_atoms: | 45 |
TPSA: | 123.53 | NumAromaticRings: | 3 |