Glycoside
...
GD143295

Name:
4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-{[4-formyl-8-hydroxy-8a,10-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}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C58H90O26

Smiles:
CC=C(C)C(=O)OC1C(CO)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C21CO

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

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 14 FractionCSP3: 0.88
AlogP: -2.34 Num_rotatable_bonds: 15
MolWt: 1203.33 Num_heavy_atoms: 84
TPSA: 417.5 NumAromaticRings: 0

Unique Aglycone
AD57645
Formula: C36H56O7

Smiles:
CC=C(C)C(=O)OC1C(CO)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C21CO
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.83
AlogP: 5.0 Num_rotatable_bonds: 5
MolWt: 600.84 Num_heavy_atoms: 43
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00052

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O