Glycoside
...
GD006888

Name:
None

Formula:
C25H35O6N

Smiles:
CO[C@H](C(=O)NCCC(c1ccccc1)c1ccco1)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C

Aglycone:
C=CC(C)(C)C.NCCC(c1ccccc1)c1ccco1

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

Other Identifiers

Properties
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.48
AlogP: 2.62 Num_rotatable_bonds: 11
MolWt: 445.56 Num_heavy_atoms: 32
TPSA: 112.16 NumAromaticRings: 2

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
AD05652
Formula: C13H15ON

Smiles:
NCCC(c1ccccc1)c1ccco1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 2.76 Num_rotatable_bonds: 4
MolWt: 201.27 Num_heavy_atoms: 15
TPSA: 39.16 NumAromaticRings: 2

Sugarmoiety
SD00152

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