Glycoside
...
GD125245

Name:
None

Formula:
C36H45O10N5

Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1OOCC(O)C(O)(CN1C=CC2=[NH+]C=CC21)C(O)C(O)CO

Aglycone:
CN1C=CC2=[NH+]C=CC21.C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.47
AlogP: -2.58 Num_rotatable_bonds: 14
MolWt: 707.78 Num_heavy_atoms: 51
TPSA: 208.47 NumAromaticRings: 2

Unique Aglycone
AD47386
Formula: C7H9N2

Smiles:
CN1C=CC2=[NH+]C=CC21
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
AD50650
Formula: C23H26O4N3

Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.39
AlogP: 1.41 Num_rotatable_bonds: 4
MolWt: 408.48 Num_heavy_atoms: 30
TPSA: 91.88 NumAromaticRings: 2

Sugarmoiety
SD04404

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