Glycoside
...
GD146922

Name:
6-{[9-(acetyloxy)-10-(benzoyloxy)-8-hydroxy-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}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C63H94O27

Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO

Aglycone:
CC(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 14 FractionCSP3: 0.83
AlogP: -1.09 Num_rotatable_bonds: 15
MolWt: 1283.42 Num_heavy_atoms: 90
TPSA: 426.73 NumAromaticRings: 1

Unique Aglycone
AD58871
Formula: C39H56O7

Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.74
AlogP: 6.49 Num_rotatable_bonds: 4
MolWt: 636.87 Num_heavy_atoms: 46
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD05639

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O