Glycoside
...
GD114551

Name:
methyl 6,7-bis(acetyloxy)-4a-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:
C21H30O14

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(C)=O)C2(C)OC(C)=O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.76
AlogP: -2.78 Num_rotatable_bonds: 6
MolWt: 506.46 Num_heavy_atoms: 35
TPSA: 207.74 NumAromaticRings: 0

Unique Aglycone
AD45130
Formula: C15H20O9

Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(C)=O)C2(C)OC(C)=O
HBA: 9 RingCount: 2
HBD: 2 FractionCSP3: 0.67
AlogP: -0.6 Num_rotatable_bonds: 3
MolWt: 344.32 Num_heavy_atoms: 24
TPSA: 128.59 NumAromaticRings: 0

Sugarmoiety
SD00003

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