Glycoside
...
GD137414

Name:
6-(4-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl)-5-(2,6-dimethyl-3-oxohepta-1,5-dien-1-yl)-6-hydroxy-7-methyl-octahydro-1H-inden-4-one

Formula:
C47H74O16

Smiles:
CC(C)=CCC(=O)C(C)=CC1C(=O)C2CCCC2C(C)C1(O)CC=C(C)C(CC=C(C)C)OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:
CC(C)=CCC(=O)C(C)=CC1C(=O)C2CCCC2C(C)C1(O)CC=C(C)C(O)CC=C(C)C

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 8 FractionCSP3: 0.79
AlogP: 2.45 Num_rotatable_bonds: 15
MolWt: 895.09 Num_heavy_atoms: 63
TPSA: 251.36 NumAromaticRings: 0

Unique Aglycone
AD55518
Formula: C29H44O4

Smiles:
CC(C)=CCC(=O)C(C)=CC1C(=O)C2CCCC2C(C)C1(O)CC=C(C)C(O)CC=C(C)C
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.66
AlogP: 5.89 Num_rotatable_bonds: 9
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD02415

CC1OC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O