Glycoside
...
GD023073

Name:
None

Formula:
C40H45O14N

Smiles:
CC(=O)OCC1OC(ON=C(C)CCC(=O)OCC2OC(C#Cc3ccccc3)C=CC2Oc2ccc(C)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(CCC(=O)OCC1OC(C#Cc2ccccc2)C=CC1Oc1ccc(C)cc1)=NO.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 0 FractionCSP3: 0.45
AlogP: 3.92 Num_rotatable_bonds: 14
MolWt: 763.79 Num_heavy_atoms: 55
TPSA: 180.78 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
AD15563
Formula: C26H27O5N

Smiles:
CC(CCC(=O)OCC1OC(C#Cc2ccccc2)C=CC1Oc1ccc(C)cc1)=NO
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.31
AlogP: 4.29 Num_rotatable_bonds: 7
MolWt: 433.5 Num_heavy_atoms: 32
TPSA: 77.35 NumAromaticRings: 2

Sugarmoiety
SD00012

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