Glycoside
...
GD118142

Name:
10-[(6-aminopiperidin-1-ium-3-yl)methyl]-4-({5-[2-(2-aminopiperidin-1-ium-4-yl)ethyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-hydroxy-7-{[iminiumyl(methylamino)methyl]amino}-2-methoxy-5,12-dioxo-octadecahydrotetracen-1-yl

Formula:
C40H48O10N7

Smiles:
CNC(=N)NC1CCC(Cc2ccc([NH3+])nc2)c2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)(CCC4=C[C+](N)[NH2+]C=C4)C(O)C2O)cc(OC)cc1C3=O

Aglycone:
CCC1=C[C+](N)[NH2+]C=C1.CNC(=N)NC1CCC(Cc2ccc([NH3+])nc2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 15 FractionCSP3: 0.38
AlogP: -0.86 Num_rotatable_bonds: 10
MolWt: 786.86 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
AD47208
Formula: C27H28O5N5

Smiles:
CNC(=N)NC1CCC(Cc2ccc([NH3+])nc2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O
HBA: 10 RingCount: 5
HBD: 8 FractionCSP3: 0.26
AlogP: 2.06 Num_rotatable_bonds: 4
MolWt: 502.55 Num_heavy_atoms: 37
TPSA: 172.27 NumAromaticRings: 3

Sugarmoiety
SD04299

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