Glycoside
...
GD021148

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5,5-dicarboxylic acid

Formula:
C31H46O12

Smiles:
C=C1[C@H]2CC[C@@H]3[C@]4(C)C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5OC(=O)CC(C)C)CC(C(=O)O)(C(=O)O)[C@H]4CC[C@@]3(C2)[C@H]1O

Aglycone:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1O.CC(C)CC(=O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.84
AlogP: 1.47 Num_rotatable_bonds: 8
MolWt: 610.7 Num_heavy_atoms: 43
TPSA: 200.28 NumAromaticRings: 0

Unique Aglycone
AD00281
Formula: C5H10O2

Smiles:
CC(C)CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD01937
Formula: C20H28O6

Smiles:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1O
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 2.05 Num_rotatable_bonds: 2
MolWt: 364.44 Num_heavy_atoms: 26
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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