Glycoside
...
GD141233

Name:
None

Formula:
C41H50O12N5

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

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 8 FractionCSP3: 0.51
AlogP: 0.26 Num_rotatable_bonds: 15
MolWt: 804.87 Num_heavy_atoms: 58
TPSA: 244.68 NumAromaticRings: 2

Unique Aglycone
AD50271
Formula: C7H9ON2

Smiles:
CN1C(O)=CC2=[NH+]C=CC21
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: -1.25 Num_rotatable_bonds: 0
MolWt: 137.16 Num_heavy_atoms: 10
TPSA: 37.44 NumAromaticRings: 0
AD56913
Formula: C28H31O5N3

Smiles:
CCC1=C2C=CN=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.46
AlogP: 4.36 Num_rotatable_bonds: 5
MolWt: 489.57 Num_heavy_atoms: 36
TPSA: 107.86 NumAromaticRings: 2

Sugarmoiety
SD04404

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