Glycoside
...
GD040085

Name:
(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside

Formula:
C27H49O12N6P

Smiles:
CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CNCc4c(COP(=O)(O)O)cnc(C)c4O)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@@]1(C)O

Aglycone:
Cc1ncc(COP(=O)(O)O)c(CNCC2CCC(N)C(OC3C(N)CC(N)C(O)C3O)O2)c1O

Sugarmoiety:
CNC1C(O)C(O)OCC1(C)O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 14 FractionCSP3: 0.81
AlogP: -3.13 Num_rotatable_bonds: 12
MolWt: 680.69 Num_heavy_atoms: 46
TPSA: 299.61 NumAromaticRings: 1

Unique Aglycone
AD24657
Formula: C20H36O9N5P

Smiles:
Cc1ncc(COP(=O)(O)O)c(CNCC2CCC(N)C(OC3C(N)CC(N)C(O)C3O)O2)c1O
HBA: 14 RingCount: 3
HBD: 12 FractionCSP3: 0.75
AlogP: -2.21 Num_rotatable_bonds: 9
MolWt: 521.51 Num_heavy_atoms: 35
TPSA: 248.89 NumAromaticRings: 1

Sugarmoiety
SD00572

CNC1C(O)C(O)OCC1(C)O