Glycoside
...
GD030481

Name:
None

Formula:
C21H31O5N

Smiles:
CO[C@H](C(=O)NC1Cc2ccccc2C1)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C

Aglycone:
C=CC(C)(C)C.NC1Cc2ccccc2C1

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

Other Identifiers

Properties
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.57
AlogP: 0.97 Num_rotatable_bonds: 7
MolWt: 377.48 Num_heavy_atoms: 27
TPSA: 99.02 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
AD19724
Formula: C9H11N

Smiles:
NC1Cc2ccccc2C1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.11 Num_rotatable_bonds: 0
MolWt: 133.19 Num_heavy_atoms: 10
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00152

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