Glycoside
...
GD018772

Name:
methyl 7-(acetyloxy)-4a-hydroxy-7-methyl-6-[(3-phenylprop-2-enoyl)oxy]-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C36H42O18

Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]2[C@@]1(O)C[C@H](OC(=O)C=Cc1ccccc1)[C@]2(C)OC(C)=O

Aglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)OC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 1 FractionCSP3: 0.53
AlogP: 1.2 Num_rotatable_bonds: 12
MolWt: 762.71 Num_heavy_atoms: 54
TPSA: 232.02 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD13179
Formula: C22H24O9

Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)OC(C)=O
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.41
AlogP: 1.09 Num_rotatable_bonds: 5
MolWt: 432.43 Num_heavy_atoms: 31
TPSA: 128.59 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O