Glycoside
...
GD141582

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

Formula:
C47H76O16

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

Aglycone:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C2CCCC2C1C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 9 FractionCSP3: 0.81
AlogP: 2.24 Num_rotatable_bonds: 15
MolWt: 897.11 Num_heavy_atoms: 63
TPSA: 254.52 NumAromaticRings: 0

Unique Aglycone
AD47525
Formula: C29H46O4

Smiles:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C2CCCC2C1C
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.69
AlogP: 5.69 Num_rotatable_bonds: 9
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD02894

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O