Glycoside
...
GD137861

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

Formula:
C39H50O26

Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1O

Aglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 15 FractionCSP3: 0.62
AlogP: -6.48 Num_rotatable_bonds: 13
MolWt: 934.8 Num_heavy_atoms: 65
TPSA: 416.73 NumAromaticRings: 3

Unique Aglycone
AD01682
Formula: C16H12O7

Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.06
AlogP: 2.29 Num_rotatable_bonds: 2
MolWt: 316.26 Num_heavy_atoms: 23
TPSA: 120.36 NumAromaticRings: 3

Sugarmoiety
SD00449

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O