Glycoside
...
GD028917

Name:
None

Formula:
C42H40O17

Smiles:
CC1=CC(O)=C2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cccc3C(c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4(O)[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)=C2C1=O

Aglycone:
CC1=CC(O)=C2C(=O)c3c(O)cccc3C(c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4O)=C2C1=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 11 FractionCSP3: 0.36
AlogP: -0.43 Num_rotatable_bonds: 5
MolWt: 816.77 Num_heavy_atoms: 59
TPSA: 301.43 NumAromaticRings: 3

Unique Aglycone
AD18854
Formula: C30H20O8

Smiles:
CC1=CC(O)=C2C(=O)c3c(O)cccc3C(c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4O)=C2C1=O
HBA: 8 RingCount: 6
HBD: 5 FractionCSP3: 0.1
AlogP: 4.08 Num_rotatable_bonds: 1
MolWt: 508.48 Num_heavy_atoms: 38
TPSA: 152.36 NumAromaticRings: 3

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O