Glycoside
...
GD145536

Name:
2-({6-[(6-{[10-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methylhex-5-en-1-ylidene)-11-hydroxy-2,6-dimethylundeca-2,6-dien-1-yl]oxy}-4,5-dihydroxy-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C56H94O31

Smiles:
C=CC(C)(CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)CO

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 6
HBD: 19 FractionCSP3: 0.86
AlogP: -6.93 Num_rotatable_bonds: 28
MolWt: 1263.34 Num_heavy_atoms: 87
TPSA: 495.13 NumAromaticRings: 0

Unique Aglycone
AD55749
Formula: C20H34O3

Smiles:
C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: 4.07 Num_rotatable_bonds: 12
MolWt: 322.49 Num_heavy_atoms: 23
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD09234

CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O