Glycoside
...
GD027854

Name:
None

Formula:
C28H37O8N

Smiles:
CCc1ccc([C@@H]2O[C@H](COC(=O)[C@H](N)C(C)C)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2

Aglycone:
CCc1ccccc1Cc1ccc2c(c1)OCCO2.COC(=O)C(N)C(C)C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.54
AlogP: 1.66 Num_rotatable_bonds: 8
MolWt: 515.6 Num_heavy_atoms: 37
TPSA: 140.7 NumAromaticRings: 2

Unique Aglycone
AD10455
Formula: C17H18O2

Smiles:
CCc1ccccc1Cc1ccc2c(c1)OCCO2
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.29
AlogP: 3.61 Num_rotatable_bonds: 3
MolWt: 254.33 Num_heavy_atoms: 19
TPSA: 18.46 NumAromaticRings: 2
AD12142
Formula: C6H13O2N

Smiles:
COC(=O)C(N)C(C)C
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.14 Num_rotatable_bonds: 2
MolWt: 131.18 Num_heavy_atoms: 9
TPSA: 52.32 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O