Glycoside
...
GD141340

Name:
4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,12b,14a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acid

Formula:
C77H124O41

Smiles:
CC1OC(OCC2OC(OC3C(CO)OC(OC4C(OC5C(O)C(OC6CCC7(C)C(CCC8(C)C7C=CC7C9CC(C)(C)CCC9(C)C=CC78C)C6(C)CO)OC(C(=O)O)C5O)OCC(O)C4O)C(O)C3O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C)C=CC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OCC2OC(OC3C(CO)OC(OC4C(OC5C(O)C(O)OC(C(=O)O)C5O)OCC(O)C4O)C(O)C3O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 13
HBD: 24 FractionCSP3: 0.94
AlogP: -8.87 Num_rotatable_bonds: 23
MolWt: 1705.8 Num_heavy_atoms: 118
TPSA: 650.27 NumAromaticRings: 0

Unique Aglycone
AD56947
Formula: C30H48O2

Smiles:
CC1(C)CCC2(C)C=CC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 2 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.77 Num_rotatable_bonds: 1
MolWt: 440.71 Num_heavy_atoms: 32
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD08697

CC1OC(OCC2OC(OC3C(CO)OC(OC4C(OC5C(O)C(O)OC(C(=O)O)C5O)OCC(O)C4O)C(O)C3O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O