Glycoside
...
GD145090

Name:
8-hydroxy-1-(hydroxymethyl)-5,6,12,12,19-pentamethyl-23-oxo-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-15-ene-9-carboxylic acid

Formula:
C36H54O12

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC6OC(=O)C(CO)(C6OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC6OC(=O)C(CO)(C6O)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 7 FractionCSP3: 0.89
AlogP: 1.52 Num_rotatable_bonds: 5
MolWt: 678.82 Num_heavy_atoms: 48
TPSA: 203.44 NumAromaticRings: 0

Unique Aglycone
AD45070
Formula: C30H44O7

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC6OC(=O)C(CO)(C6O)C5CCC43C)C2C1
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.87
AlogP: 3.69 Num_rotatable_bonds: 2
MolWt: 516.68 Num_heavy_atoms: 37
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O