Glycoside
...
GD032009

Name:
Alangilignoside C

Formula:
C28H38O13

Smiles:
COc1cc(C[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Aglycone:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.57
AlogP: 0.5 Num_rotatable_bonds: 11
MolWt: 582.6 Num_heavy_atoms: 41
TPSA: 185.99 NumAromaticRings: 2

Unique Aglycone
AD10896
Formula: C22H28O8

Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.45
AlogP: 2.67 Num_rotatable_bonds: 8
MolWt: 420.46 Num_heavy_atoms: 30
TPSA: 106.84 NumAromaticRings: 2

Sugarmoiety
SD00003

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