Glycoside
...
GD008097

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 16-(acetyloxy)-10-hydroxy-2-(hydroxymethyl)-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

Formula:
C38H54O14

Smiles:
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](O)[C@]4(C)[C@@H]5[C@H](C[C@@]4(CO)C3=CC[C@H]2[C@]1(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)[C@H]5CC(=O)C=C(C)C

Aglycone:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C5C(CC4(CO)C3=CCC2C1(C)C(=O)O)OC(=O)C5CC(=O)C=C(C)C

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.79
AlogP: 0.87 Num_rotatable_bonds: 8
MolWt: 734.84 Num_heavy_atoms: 52
TPSA: 226.58 NumAromaticRings: 0

Unique Aglycone
AD06513
Formula: C32H44O9

Smiles:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C5C(CC4(CO)C3=CCC2C1(C)C(=O)O)OC(=O)C5CC(=O)C=C(C)C
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.75
AlogP: 3.61 Num_rotatable_bonds: 6
MolWt: 572.7 Num_heavy_atoms: 41
TPSA: 147.43 NumAromaticRings: 0

Sugarmoiety
SD00003

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