Glycoside
...
GD120590

Name:
6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol

Formula:
C20H39O8N5

Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OC(CO)C1(C)O

Aglycone:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1

Sugarmoiety:
CNC1C(O)C(O)OC(CO)C1(C)O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 13 FractionCSP3: 0.9
AlogP: -4.49 Num_rotatable_bonds: 7
MolWt: 477.56 Num_heavy_atoms: 33
TPSA: 233.95 NumAromaticRings: 0

Unique Aglycone
AD02378
Formula: C12H24O4N4

Smiles:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1
HBA: 8 RingCount: 2
HBD: 10 FractionCSP3: 0.83
AlogP: -2.93 Num_rotatable_bonds: 3
MolWt: 288.35 Num_heavy_atoms: 20
TPSA: 163.0 NumAromaticRings: 0

Sugarmoiety
SD05645

CNC1C(O)C(O)OC(CO)C1(C)O