Glycoside
...
GD153668

Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate

Formula:
C21H30O14

Smiles:
COc1cc(O)cc(C)c1C(=O)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O

Aglycone:
COc1cc(O)cc(C)c1C(=O)O.OC1C(O)C(O)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 9 FractionCSP3: 0.67
AlogP: -4.12 Num_rotatable_bonds: 6
MolWt: 506.46 Num_heavy_atoms: 35
TPSA: 236.06 NumAromaticRings: 1

Unique Aglycone
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0
AD08265
Formula: C9H10O4

Smiles:
COc1cc(O)cc(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00003

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