Glycoside
...
GD145742

Name:
[3,4,5-tris(acetyloxy)-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13,15,17-hexaen-16-yloxy}oxan-2-yl]methyl acetate

Formula:
C30H30O14

Smiles:
CC(=O)OCC1OC(Oc2ccc3c(c2)OCC2c4cc5c(cc4OC32)OCO5)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 0 FractionCSP3: 0.47
AlogP: 2.49 Num_rotatable_bonds: 7
MolWt: 614.56 Num_heavy_atoms: 44
TPSA: 160.58 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
AD01872
Formula: C16H12O5

Smiles:
Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4
HBA: 5 RingCount: 5
HBD: 1 FractionCSP3: 0.25
AlogP: 2.73 Num_rotatable_bonds: 0
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 57.15 NumAromaticRings: 2

Sugarmoiety
SD00012

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