Glycoside
...
GD152781

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

Formula:
C53H80O19

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)CC5C(C)(CO)CC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)CC5C(C)(CO)CC43C)C2CC1(C)C

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 8 FractionCSP3: 0.81
AlogP: 3.01 Num_rotatable_bonds: 12
MolWt: 1021.2 Num_heavy_atoms: 72
TPSA: 294.73 NumAromaticRings: 0

Unique Aglycone
AD60808
Formula: C42H64O9

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)CC5C(C)(CO)CC43C)C2CC1(C)C
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.79
AlogP: 6.63 Num_rotatable_bonds: 7
MolWt: 712.96 Num_heavy_atoms: 51
TPSA: 139.59 NumAromaticRings: 0

Sugarmoiety
SD00379

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