Glycoside
...
GD143570

Name:
None

Formula:
C41H52O11N6

Smiles:
C[NH2+]CCC1(CCC2CN=C(O)C2)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(CCC2CN=C(O)C2)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: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.51
AlogP: -1.84 Num_rotatable_bonds: 17
MolWt: 804.9 Num_heavy_atoms: 58
TPSA: 241.06 NumAromaticRings: 2

Unique Aglycone
AD46320
Formula: C28H33O5N4

Smiles:
C[NH2+]CCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.46
AlogP: 2.15 Num_rotatable_bonds: 7
MolWt: 505.6 Num_heavy_atoms: 37
TPSA: 124.47 NumAromaticRings: 2
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

Sugarmoiety
SD04404

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