Glycoside
...
GD022132

Name:
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[4,7,8-trihydroxy-8a-(hydroxymethyl)-4,6a,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}oxane-2-carboxylic acid

Formula:
C56H86O24

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)[C@@]2(CO)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(O)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(O)C4CCC3(C)C1(C)C(O)C2O

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

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 13 FractionCSP3: 0.84
AlogP: -1.01 Num_rotatable_bonds: 14
MolWt: 1143.28 Num_heavy_atoms: 80
TPSA: 388.04 NumAromaticRings: 0

Unique Aglycone
AD15039
Formula: C39H60O9

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(O)C4CCC3(C)C1(C)C(O)C2O
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.79
AlogP: 4.78 Num_rotatable_bonds: 5
MolWt: 672.9 Num_heavy_atoms: 48
TPSA: 153.75 NumAromaticRings: 0

Sugarmoiety
SD00068

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