Glycoside
...
GD144591

Name:
8-(6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy)-2,6-dimethyloctyl 7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C42H66O20

Smiles:
CC(CCCC(C)COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)O)CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C

Aglycone:
CC(CCCC(C)COC(=O)C1=COC(O)C2C1CCC2(C)O)CCOC(=O)C1=COC(O)C2C1CC(O)C2C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 10 FractionCSP3: 0.86
AlogP: -1.57 Num_rotatable_bonds: 17
MolWt: 890.97 Num_heavy_atoms: 62
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD58096
Formula: C30H46O10

Smiles:
CC(CCCC(C)COC(=O)C1=COC(O)C2C1CCC2(C)O)CCOC(=O)C1=COC(O)C2C1CC(O)C2C
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 2.78 Num_rotatable_bonds: 11
MolWt: 566.69 Num_heavy_atoms: 40
TPSA: 151.98 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O