Glycoside
...
GD124457

Name:
1-({5-[2-(2-aminopiperidin-1-ium-4-yl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propyl]-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-6-(3-oxopropyl)-tetradecahydroanthracen-1-yl

Formula:
C41H47O13N6

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)c3ccnc([NH3+])c3)C(O)C2O)c2c1C(=O)c1cc(CCC=[O+])c(CNC(=N)NC)c(O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)c1ccnc([NH3+])c1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC=[OH+])c(CNC(=N)NC)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 11 FractionCSP3: 0.39
AlogP: -0.97 Num_rotatable_bonds: 15
MolWt: 831.86 Num_heavy_atoms: 60
TPSA: 308.7 NumAromaticRings: 3

Unique Aglycone
AD50276
Formula: C12H14O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)c1ccnc([NH3+])c1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.25
AlogP: -0.02 Num_rotatable_bonds: 3
MolWt: 232.26 Num_heavy_atoms: 17
TPSA: 77.91 NumAromaticRings: 1
AD50277
Formula: C23H26O6N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC=[OH+])c(CNC(=N)NC)c(O)c1C2=O
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.3
AlogP: 1.8 Num_rotatable_bonds: 7
MolWt: 440.48 Num_heavy_atoms: 32
TPSA: 153.14 NumAromaticRings: 2

Sugarmoiety
SD04299

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