Glycoside
...
GD132317

Name:
6-{[8,9-bis(acetyloxy)-4-formyl-8a-(hydroxymethyl)-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-[(5,6-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(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(O)C(O)CC7OC7OC(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(OC(C)=O)C2(CO)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(OC2OC(O)C(O)CC2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 13 FractionCSP3: 0.85
AlogP: -1.73 Num_rotatable_bonds: 17
MolWt: 1303.41 Num_heavy_atoms: 91
TPSA: 449.87 NumAromaticRings: 0

Unique Aglycone
AD46308
Formula: C39H58O9

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)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
SD05151

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(O)C(O)CC2OC2OC(CO)C(O)C(O)C2O)C1O