Glycoside
...
GD149907

Name:
6-acetyl-5-hydroxy-7-methyl-4-[(3,4,5-trihydroxy-6-{7-hydroxyspiro[4.5]decan-7-yl}oxan-2-yl)oxy]naphthalene-2-carboxylic acid

Formula:
C29H36O10

Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(OC3OC(C4(O)CCCC5(CCCC5)C4)C(O)C(O)C3O)c2c1O

Aglycone:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O.OC1CCCC2(CCCC2)C1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 6 FractionCSP3: 0.59
AlogP: 2.81 Num_rotatable_bonds: 5
MolWt: 544.6 Num_heavy_atoms: 39
TPSA: 173.98 NumAromaticRings: 2

Unique Aglycone
AD45063
Formula: C14H12O5

Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.14
AlogP: 2.46 Num_rotatable_bonds: 2
MolWt: 260.24 Num_heavy_atoms: 19
TPSA: 94.83 NumAromaticRings: 2
AD59915
Formula: C10H18O

Smiles:
OC1CCCC2(CCCC2)C1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 1.0
AlogP: 2.48 Num_rotatable_bonds: 0
MolWt: 154.25 Num_heavy_atoms: 11
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O