Glycoside
...
GD146782

Name:
2-{[4-hydroxy-6-(hydroxymethyl)-2-{[6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:
C51H86O22

Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 12 FractionCSP3: 1.0
AlogP: -1.63 Num_rotatable_bonds: 15
MolWt: 1051.23 Num_heavy_atoms: 73
TPSA: 335.06 NumAromaticRings: 0

Unique Aglycone
AD13526
Formula: C28H48O4

Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 1.0
AlogP: 5.4 Num_rotatable_bonds: 5
MolWt: 448.69 Num_heavy_atoms: 32
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD02034

CC1OC(OC2C(O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O