Glycoside
...
GD023509

Name:
5-hydroxy-2-(hydroxymethyl)-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4H,8H,11H-oxepino[2,3-h]chromen-4-one

Formula:
C21H24O11

Smiles:
O=c1cc(CO)oc2c3c(cc(O)c12)OCC(COC1OC(CO)C(O)C(O)C1O)=CC3

Aglycone:
O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO)=CC3

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 6 FractionCSP3: 0.48
AlogP: -1.33 Num_rotatable_bonds: 5
MolWt: 452.41 Num_heavy_atoms: 32
TPSA: 179.28 NumAromaticRings: 2

Unique Aglycone
AD15801
Formula: C15H14O6

Smiles:
O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO)=CC3
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.27
AlogP: 0.84 Num_rotatable_bonds: 2
MolWt: 290.27 Num_heavy_atoms: 21
TPSA: 100.13 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O