Glycoside
...
GD127459

Name:
[3,4,5-tris(acetyloxy)-6-[5,7-bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-4-oxo-6-[3,4,5-tris(acetyloxy)oxan-2-yl]-4H-chromen-8-yl]oxan-2-yl]methyl acetate

Formula:
C46H48O24

Smiles:
CC(=O)OCC1OC(c2c(OC(C)=O)c(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)cc4)oc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 0 FractionCSP3: 0.46
AlogP: 2.9 Num_rotatable_bonds: 14
MolWt: 984.87 Num_heavy_atoms: 70
TPSA: 311.67 NumAromaticRings: 3

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
AD51612
Formula: C21H16O8

Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1
HBA: 8 RingCount: 3
HBD: 0 FractionCSP3: 0.14
AlogP: 3.24 Num_rotatable_bonds: 4
MolWt: 396.35 Num_heavy_atoms: 29
TPSA: 109.11 NumAromaticRings: 3

Sugarmoiety
SD06781

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O