Glycoside
...
GD028913

Name:
None

Formula:
C38H38O22

Smiles:
COc1cc(C=CC(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)c(OC)c(O)c5c4=O)O[C@@H](CO)[C@@H](O)[C@H]3O)O[C@@H](C(=O)O)[C@@H](O)[C@H]2O)ccc1O

Aglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O.COc1cc(C=CC(=O)O)ccc1O

Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 11 FractionCSP3: 0.34
AlogP: -0.64 Num_rotatable_bonds: 12
MolWt: 846.7 Num_heavy_atoms: 60
TPSA: 351.49 NumAromaticRings: 4

Unique Aglycone
AD00175
Formula: C10H10O4

Smiles:
COc1cc(C=CC(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD01718
Formula: C16H12O8

Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.06
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 332.26 Num_heavy_atoms: 24
TPSA: 140.59 NumAromaticRings: 3

Sugarmoiety
SD01260

O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O