Glycoside
...
GD146267

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

Formula:
C34H46O13

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.65
AlogP: 2.24 Num_rotatable_bonds: 11
MolWt: 662.73 Num_heavy_atoms: 47
TPSA: 223.67 NumAromaticRings: 2

Unique Aglycone
AD46641
Formula: C14H26O2

Smiles:
CCC1CCCC2COCC(CCCO)C12
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 1.0
AlogP: 2.85 Num_rotatable_bonds: 4
MolWt: 226.36 Num_heavy_atoms: 16
TPSA: 29.46 NumAromaticRings: 0
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

Sugarmoiety
SD04299

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