Glycoside
...
GD152589

Name:
3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[7,8,10-tris(acetyloxy)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(2-methylbut-2-enoyl)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}oxane-2-carboxylic acid

Formula:
C52H78O21

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)C(OC(C)=O)C(OC(C)=O)C21CO

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

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 8 FractionCSP3: 0.83
AlogP: 1.61 Num_rotatable_bonds: 12
MolWt: 1039.18 Num_heavy_atoms: 73
TPSA: 321.03 NumAromaticRings: 0

Unique Aglycone
AD60745
Formula: C41H62O11

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)C(OC(C)=O)C(OC(C)=O)C21CO
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.8
AlogP: 5.23 Num_rotatable_bonds: 7
MolWt: 730.94 Num_heavy_atoms: 52
TPSA: 165.89 NumAromaticRings: 0

Sugarmoiety
SD00379

O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O