Glycoside
...
GD146708

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

Formula:
C80H130O43

Smiles:
CC1OC(OC2C(O)COC(OC3C(O)C(OC4C(O)C(C)OC(OC5C(O)C(CO)OC(OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9CC(C)(C)CCC9(C(=O)O)CCC78C)C6(C)O)C5O)C4OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)OC(C)C3OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)COC(OC3C(O)C(OC4C(O)C(C)OC(OC5C(O)C(O)OC(CO)C5O)C4OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)OC(C)C3OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 43 RingCount: 14
HBD: 24 FractionCSP3: 0.96
AlogP: -8.63 Num_rotatable_bonds: 21
MolWt: 1779.88 Num_heavy_atoms: 123
TPSA: 668.73 NumAromaticRings: 0

Unique Aglycone
AD58807
Formula: C29H46O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(O)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 4.93 Num_rotatable_bonds: 1
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD09361

CC1OC(OC2C(O)COC(OC3C(O)C(OC4C(O)C(C)OC(OC5C(O)C(O)OC(CO)C5O)C4OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)OC(C)C3OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O