Glycoside
...
GD136480

Name:
6-{[8-(acetyloxy)-8a-[(acetyloxy)methyl]-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(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}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:
C62H94O29

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 13 FractionCSP3: 0.85
AlogP: -2.08 Num_rotatable_bonds: 17
MolWt: 1303.41 Num_heavy_atoms: 91
TPSA: 449.87 NumAromaticRings: 0

Unique Aglycone
AD55171
Formula: C39H58O9

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.79
AlogP: 5.89 Num_rotatable_bonds: 6
MolWt: 670.88 Num_heavy_atoms: 48
TPSA: 136.43 NumAromaticRings: 0

Sugarmoiety
SD01354

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O