Glycoside
...
GD017857

Name:
None

Formula:
C27H29O9N3

Smiles:
COc1ccc(-n2c(C)nc3ccc(NC4OCC(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3c2=O)cc1

Aglycone:
COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.37
AlogP: 2.27 Num_rotatable_bonds: 7
MolWt: 539.54 Num_heavy_atoms: 39
TPSA: 144.28 NumAromaticRings: 3

Unique Aglycone
AD12616
Formula: C16H15O2N3

Smiles:
COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.28 Num_rotatable_bonds: 2
MolWt: 281.31 Num_heavy_atoms: 21
TPSA: 70.14 NumAromaticRings: 3

Sugarmoiety
SD00194

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