Glycoside
...
GD030281

Name:
None

Formula:
C22H32O6N2

Smiles:
CO[C@H](C(=O)N[C@@H]1CCc2ccccc2NC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C

Aglycone:
C=CC(C)(C)C.NC1CCc2ccccc2NC1=O

Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.55
AlogP: 0.76 Num_rotatable_bonds: 7
MolWt: 420.51 Num_heavy_atoms: 30
TPSA: 128.12 NumAromaticRings: 1

Unique Aglycone
AD00410
Formula: C6H12

Smiles:
C=CC(C)(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 2.22 Num_rotatable_bonds: 0
MolWt: 84.16 Num_heavy_atoms: 6
TPSA: 0.0 NumAromaticRings: 0
AD19599
Formula: C10H12ON2

Smiles:
NC1CCc2ccccc2NC1=O
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.3
AlogP: 0.9 Num_rotatable_bonds: 0
MolWt: 176.22 Num_heavy_atoms: 13
TPSA: 55.12 NumAromaticRings: 1

Sugarmoiety
SD00152

COC(C(=O)O)C(O)C(O)C(O)O