Glycoside
...
GD149210

Name:
4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-{[4-formyl-9-(hex-2-enoyloxy)-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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:
C58H90O25

Smiles:
CCCC=CC(=O)OC1CC(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)C12CO

Aglycone:
CCCC=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO

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: 25 RingCount: 9
HBD: 13 FractionCSP3: 0.88
AlogP: -1.16 Num_rotatable_bonds: 16
MolWt: 1187.33 Num_heavy_atoms: 83
TPSA: 397.27 NumAromaticRings: 0

Unique Aglycone
AD59669
Formula: C36H56O6

Smiles:
CCCC=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 6.17 Num_rotatable_bonds: 6
MolWt: 584.84 Num_heavy_atoms: 42
TPSA: 104.06 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