Glycoside
...
GD138068

Name:
2-({7-[9-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-4,8-dimethylnona-3,7-dien-1-yl]-8-hydroxy-3-methylocta-1,6-dien-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C44H74O21

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(O)C(O)C2O)C(O)C1O)OC1OC(CO)C(O)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(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 13 FractionCSP3: 0.82
AlogP: -2.58 Num_rotatable_bonds: 22
MolWt: 939.06 Num_heavy_atoms: 65
TPSA: 336.83 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
SD06762

CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O