Glycoside
...
GD123492

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3-hydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C49H78O19

Smiles:
COC1C=C2C3CC(C)(C)C(O)CC3(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12

Aglycone:
COC1C=C2C3CC(C)(C)C(O)CC3(C(=O)O)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.92
AlogP: -0.03 Num_rotatable_bonds: 9
MolWt: 971.14 Num_heavy_atoms: 68
TPSA: 301.05 NumAromaticRings: 0

Unique Aglycone
AD49841
Formula: C31H48O5

Smiles:
COC1C=C2C3CC(C)(C)C(O)CC3(C(=O)O)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.04 Num_rotatable_bonds: 2
MolWt: 500.72 Num_heavy_atoms: 36
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O