Glycoside
...
GD124001

Name:
3-hydroxypropyl 3-{6-hydroxy-5'-[3-(3-hydroxypropoxy)-3-oxopropyl]-3',5-dimethoxy-2'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl}propanoate

Formula:
C32H44O15

Smiles:
COc1cc(CCC(=O)OCCCO)cc(-c2cc(CCC(=O)OCCCO)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)c1O

Aglycone:
COc1cc(CCC(=O)OCCCO)cc(-c2cc(CCC(=O)OCCCO)cc(OC)c2O)c1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 7 FractionCSP3: 0.56
AlogP: -0.03 Num_rotatable_bonds: 18
MolWt: 668.69 Num_heavy_atoms: 47
TPSA: 231.13 NumAromaticRings: 2

Unique Aglycone
AD50067
Formula: C26H34O10

Smiles:
COc1cc(CCC(=O)OCCCO)cc(-c2cc(CCC(=O)OCCCO)cc(OC)c2O)c1O
HBA: 10 RingCount: 2
HBD: 4 FractionCSP3: 0.46
AlogP: 2.5 Num_rotatable_bonds: 15
MolWt: 506.55 Num_heavy_atoms: 36
TPSA: 151.98 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O