Glycoside
...
GD005605

Name:
None

Formula:
C48H65O18N7

Smiles:
CN(C)c1ccc2c(-c3ccc(C(=O)NCC4O[C@H](O[C@@H]5C(O)[C@H](O[C@@H]6C(O)[C@H](N)CC(N)[C@H]6O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6N)O[C@H]5CO)[C@H](N)C(O)[C@H]4O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1

Aglycone:
CNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 8
HBD: 17 FractionCSP3: 0.56
AlogP: -6.41 Num_rotatable_bonds: 14
MolWt: 1028.08 Num_heavy_atoms: 73
TPSA: 409.92 NumAromaticRings: 2

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD04737
Formula: C26H25O4N3

Smiles:
CNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1
HBA: 7 RingCount: 4
HBD: 1 FractionCSP3: 0.19
AlogP: 2.03 Num_rotatable_bonds: 4
MolWt: 443.5 Num_heavy_atoms: 33
TPSA: 88.62 NumAromaticRings: 2

Sugarmoiety
SD01023

NC1C(O)OC(CO)C(O)C1O.NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1O