Glycoside
...
GD137964

Name:
5-(acetyloxy)-3-ethoxy-3-hydroxy-2-methyl-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}cyclopentyl 4-(acetyloxy)-3,5-dimethoxybenzoate

Formula:
C35H46O20

Smiles:
CCOC1(O)C(C)C(OC(=O)c2cc(OC)c(OC(C)=O)c(OC)c2)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CCOC1(O)C(C)C(OC(=O)c2cc(OC)c(OC(C)=O)c(OC)c2)C(OC(C)=O)C1O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 1 FractionCSP3: 0.63
AlogP: 0.93 Num_rotatable_bonds: 15
MolWt: 786.73 Num_heavy_atoms: 55
TPSA: 250.48 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD55707
Formula: C21H28O11

Smiles:
CCOC1(O)C(C)C(OC(=O)c2cc(OC)c(OC(C)=O)c(OC)c2)C(OC(C)=O)C1O
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.57
AlogP: 0.82 Num_rotatable_bonds: 8
MolWt: 456.44 Num_heavy_atoms: 32
TPSA: 147.05 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O