Glycoside
...
GD130702

Name:
None

Formula:
C41H51O11N5

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(CN1C=CC3=[NH+]C=CC31)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2.CN1C=CC2=[NH+]C=CC21

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 8 FractionCSP3: 0.51
AlogP: -1.55 Num_rotatable_bonds: 15
MolWt: 789.88 Num_heavy_atoms: 57
TPSA: 226.06 NumAromaticRings: 2

Unique Aglycone
AD46820
Formula: C28H32O5N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.46
AlogP: 2.45 Num_rotatable_bonds: 5
MolWt: 490.58 Num_heavy_atoms: 36
TPSA: 109.47 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