Glycoside
...
GD137265

Name:
6-[2-(6-aminopiperidin-1-ium-3-yl)ethyl]-1-({5-[2-(2-aminopiperidin-1-ium-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-ethyl-8-hydroxy-7-({[iminiumyl(methylamino)methyl]amino}methyl)-3-methoxy-9,10-dioxo-tetradecahydroanthracen-1-yl

Formula:
C40H50O10N7

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CCC3=C[C+](N)[NH2+]C=C3)C(O)C2O)c2c1C(=O)c1cc(CCc3ccc([NH3+])nc3)c(CNC(=N)NC)c(O)c1C2=O

Aglycone:
CCC1=C[C+](N)[NH2+]C=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccc([NH3+])nc3)c(CNC(=N)NC)c(O)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 15 FractionCSP3: 0.38
AlogP: -1.17 Num_rotatable_bonds: 13
MolWt: 788.88 Num_heavy_atoms: 57
TPSA: 294.05 NumAromaticRings: 3

Unique Aglycone
AD47207
Formula: C7H12N2

Smiles:
CCC1=C[C+](N)[NH2+]C=C1
HBA: 2 RingCount: 1
HBD: 4 FractionCSP3: 0.29
AlogP: -0.14 Num_rotatable_bonds: 1
MolWt: 124.19 Num_heavy_atoms: 9
TPSA: 42.63 NumAromaticRings: 0
AD55465
Formula: C27H30O5N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccc([NH3+])nc3)c(CNC(=N)NC)c(O)c1C2=O
HBA: 10 RingCount: 4
HBD: 8 FractionCSP3: 0.26
AlogP: 1.74 Num_rotatable_bonds: 7
MolWt: 504.57 Num_heavy_atoms: 37
TPSA: 172.27 NumAromaticRings: 3

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O