Glycoside
...
GD089445

Name:
None

Formula:
C21H31O8N2

Smiles:
CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2)CC1

Aglycone:
CCOC(=O)C1CC[NH+](Cc2cccc(N)c2)CC1

Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)CO

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 6 FractionCSP3: 0.57
AlogP: -2.37 Num_rotatable_bonds: 10
MolWt: 439.49 Num_heavy_atoms: 31
TPSA: 157.83 NumAromaticRings: 1

Unique Aglycone
AD39019
Formula: C15H23O2N2

Smiles:
CCOC(=O)C1CC[NH+](Cc2cccc(N)c2)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.53
AlogP: 0.63 Num_rotatable_bonds: 4
MolWt: 263.36 Num_heavy_atoms: 19
TPSA: 56.76 NumAromaticRings: 1

Sugarmoiety
SD00818

O=C(O)C(=O)C(O)C(O)C(O)CO