Glycoside
...
GD153091

Name:
4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-6-{[9-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2-methylbutanoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C59H96O25

Smiles:
CCC(C)C(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Aglycone:
CCC(C)C(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -0.9 Num_rotatable_bonds: 15
MolWt: 1205.39 Num_heavy_atoms: 84
TPSA: 400.43 NumAromaticRings: 0

Unique Aglycone
AD60914
Formula: C35H58O5

Smiles:
CCC(C)C(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.91
AlogP: 6.68 Num_rotatable_bonds: 4
MolWt: 558.84 Num_heavy_atoms: 40
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01794

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O