Glycoside
...
GD114351

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

Formula:
C42H64O20

Smiles:
C=C1C(O)CC2C(C(=O)OCC(C)CCCC(C)CCOC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C3CCC4(C)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12

Aglycone:
C=C1C(O)CC2C(C(=O)OCC(C)CCCC(C)CCOC(=O)C3=COC(O)C4C3CCC4(C)O)=COC(O)C12

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: 0.81
AlogP: -1.65 Num_rotatable_bonds: 17
MolWt: 888.95 Num_heavy_atoms: 62
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD45004
Formula: C30H44O10

Smiles:
C=C1C(O)CC2C(C(=O)OCC(C)CCCC(C)CCOC(=O)C3=COC(O)C4C3CCC4(C)O)=COC(O)C12
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.73
AlogP: 2.7 Num_rotatable_bonds: 11
MolWt: 564.67 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