Glycoside
...
GD157294

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

Formula:
C50H80O20

Smiles:
CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12COC1OC(C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.25 Num_rotatable_bonds: 10
MolWt: 1001.17 Num_heavy_atoms: 70
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD52939
Formula: C32H52O5

Smiles:
CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.91
AlogP: 5.65 Num_rotatable_bonds: 2
MolWt: 516.76 Num_heavy_atoms: 37
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD05296

CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O