Glycoside
...
GD131399

Name:
None

Formula:
C41H51O12N5

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(CN1C3=CC=[NH+]C3=CC1O)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2.CN1C2=CC=[NH+]C2=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: -2.23 Num_rotatable_bonds: 15
MolWt: 805.88 Num_heavy_atoms: 58
TPSA: 246.29 NumAromaticRings: 2

Unique Aglycone
AD46521
Formula: C28H32O5N3

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.46
AlogP: 2.44 Num_rotatable_bonds: 5
MolWt: 490.58 Num_heavy_atoms: 36
TPSA: 109.47 NumAromaticRings: 2
AD51115
Formula: C7H9ON2

Smiles:
CN1C2=CC=[NH+]C2=CC1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: -1.82 Num_rotatable_bonds: 0
MolWt: 137.16 Num_heavy_atoms: 10
TPSA: 37.44 NumAromaticRings: 0

Sugarmoiety
SD04404

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