Glycoside
...
GD143391

Name:
6-acetyl-5,8-dihydroxy-7-methyl-4-[(3,4,5-trihydroxy-5-{2-[4-(2-hydroxyethyl)-octahydro-1H-2-benzopyran-5-yl]ethyl}-6-(hydroxymethyl)oxan-2-yl)oxy]naphthalene-2-carboxylic acid

Formula:
C33H44O13

Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(OC3OC(CO)C(O)(CCC4CCCC5COCC(CCO)C45)C(O)C3O)c2c1O

Aglycone:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O.CCC1CCCC2COCC(CCO)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.64
AlogP: 1.85 Num_rotatable_bonds: 10
MolWt: 648.7 Num_heavy_atoms: 46
TPSA: 223.67 NumAromaticRings: 2

Unique Aglycone
AD47220
Formula: C14H12O6

Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.14
AlogP: 2.17 Num_rotatable_bonds: 2
MolWt: 276.24 Num_heavy_atoms: 20
TPSA: 115.06 NumAromaticRings: 2
AD51220
Formula: C13H24O2

Smiles:
CCC1CCCC2COCC(CCO)C12
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 1.0
AlogP: 2.46 Num_rotatable_bonds: 3
MolWt: 212.33 Num_heavy_atoms: 15
TPSA: 29.46 NumAromaticRings: 0

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O