Glycoside
...
GD132054

Name:
None

Formula:
C43H56O11N6

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(CN1CC=C3[NH+]=CC=C31)C(O)C(O)CO)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2.CN1CC=C2[NH+]=CC=C21

Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COO

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.53
AlogP: -1.06 Num_rotatable_bonds: 18
MolWt: 832.95 Num_heavy_atoms: 60
TPSA: 241.06 NumAromaticRings: 2

Unique Aglycone
AD45576
Formula: C7H9N2

Smiles:
CN1CC=C2[NH+]=CC=C21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: -1.14 Num_rotatable_bonds: 0
MolWt: 121.16 Num_heavy_atoms: 9
TPSA: 17.21 NumAromaticRings: 0
AD49037
Formula: C30H37O5N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.5
AlogP: 2.93 Num_rotatable_bonds: 8
MolWt: 533.65 Num_heavy_atoms: 39
TPSA: 124.47 NumAromaticRings: 2

Sugarmoiety
SD04404

OCC(O)C(O)C(O)(O)C(O)COO