Glycoside
...
GD147442

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

Formula:
C50H80O21

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

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

Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -0.78 Num_rotatable_bonds: 10
MolWt: 1017.17 Num_heavy_atoms: 71
TPSA: 341.51 NumAromaticRings: 0

Unique Aglycone
AD59043
Formula: C32H52O6

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)C(O)C(O)C12CO
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.91
AlogP: 4.62 Num_rotatable_bonds: 2
MolWt: 532.76 Num_heavy_atoms: 38
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD01992

CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O