Glycoside
...
GD123194

Name:
4a-({[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]oxy}carbonyl)-2,9,9,12a,14b-pentamethyl-10-oxo-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-2-carboxylic acid

Formula:
C47H72O19

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CC=C6C7CCC8C(C)(C)C(=O)CCC8(C)C7CCC6C4(C)CC(C)(C(=O)O)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C(=O)O)CCC2(C(=O)O)CC=C3C4CCC5C(C)(C)C(=O)CCC5(C)C4CCC3C2(C)C1

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: 0.89
AlogP: 0.05 Num_rotatable_bonds: 9
MolWt: 941.07 Num_heavy_atoms: 66
TPSA: 308.89 NumAromaticRings: 0

Unique Aglycone
AD49700
Formula: C29H42O5

Smiles:
CC1(C(=O)O)CCC2(C(=O)O)CC=C3C4CCC5C(C)(C)C(=O)CCC5(C)C4CCC3C2(C)C1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 6.12 Num_rotatable_bonds: 2
MolWt: 470.65 Num_heavy_atoms: 34
TPSA: 91.67 NumAromaticRings: 0

Sugarmoiety
SD00047

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