Glycoside
...
GD149859

Name:
9-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-10-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one

Formula:
C39H52O25

Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)oc(C)cc3cc2c1

Aglycone:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1

Sugarmoiety:
OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 14 FractionCSP3: 0.67
AlogP: -6.38 Num_rotatable_bonds: 13
MolWt: 920.82 Num_heavy_atoms: 64
TPSA: 396.5 NumAromaticRings: 3

Unique Aglycone
AD19122
Formula: C15H12O5

Smiles:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.13
AlogP: 2.67 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 79.9 NumAromaticRings: 3

Sugarmoiety
SD05424

OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O