Glycoside
...
GD154299

Name:
[3,4-bis(acetyloxy)-6-({2-[4-(acetyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-5-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C41H46O21

Smiles:
CC(=O)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(OC(C)=O)cc2)CC3=O)C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 1 FractionCSP3: 0.51
AlogP: 2.48 Num_rotatable_bonds: 13
MolWt: 874.8 Num_heavy_atoms: 62
TPSA: 267.55 NumAromaticRings: 2

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
AD61305
Formula: C17H14O6

Smiles:
CC(=O)Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.18
AlogP: 2.73 Num_rotatable_bonds: 2
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 93.06 NumAromaticRings: 2

Sugarmoiety
SD04223

CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O