Glycoside
...
GD120013

Name:
6-{[8,9-bis(acetyloxy)-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(3-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}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C61H94O28

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC32C)C2CC(C)(C)C(OC(=O)CC(C)C)C(OC(C)=O)C12CO

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

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 12 FractionCSP3: 0.89
AlogP: -1.36 Num_rotatable_bonds: 17
MolWt: 1275.39 Num_heavy_atoms: 89
TPSA: 429.64 NumAromaticRings: 0

Unique Aglycone
AD48164
Formula: C39H60O9

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC32C)C2CC(C)(C)C(OC(=O)CC(C)C)C(OC(C)=O)C12CO
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.85
AlogP: 5.97 Num_rotatable_bonds: 7
MolWt: 672.9 Num_heavy_atoms: 48
TPSA: 136.43 NumAromaticRings: 0

Sugarmoiety
SD00052

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O