Glycoside
...
GD122704

Name:
5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2-(4-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}phenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

Formula:
C35H44O18

Smiles:
CC1OC(Oc2c(-c3ccc(OC4CC(CO)C(O)C(O)C4O)cc3)oc3cc(OC4CC(CO)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1O

Aglycone:
O=c1c(O)c(-c2ccc(OC3CC(CO)C(O)C(O)C3O)cc2)oc2cc(OC3CC(CO)C(O)C(O)C3O)cc(O)c12

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 12 FractionCSP3: 0.57
AlogP: -2.94 Num_rotatable_bonds: 9
MolWt: 752.72 Num_heavy_atoms: 53
TPSA: 309.89 NumAromaticRings: 3

Unique Aglycone
AD49474
Formula: C29H34O14

Smiles:
O=c1c(O)c(-c2ccc(OC3CC(CO)C(O)C(O)C3O)cc2)oc2cc(OC3CC(CO)C(O)C(O)C3O)cc(O)c12
HBA: 14 RingCount: 5
HBD: 10 FractionCSP3: 0.48
AlogP: -1.44 Num_rotatable_bonds: 7
MolWt: 606.58 Num_heavy_atoms: 43
TPSA: 250.97 NumAromaticRings: 3

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O