Glycoside
...
GD114044

Name:
None

Formula:
C35H53O10N

Smiles:
CCCCCCCCCCCCCCC(=O)N[C@@H]1[C@@H](OC(=O)Cc2ccccc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CCCCCCCCCCCCCCC(N)=O.COC(C)=O.O=C(O)Cc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.69
AlogP: 5.5 Num_rotatable_bonds: 21
MolWt: 647.81 Num_heavy_atoms: 46
TPSA: 143.53 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00909
Formula: C8H8O2

Smiles:
O=C(O)Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1
AD44779
Formula: C15H31ON

Smiles:
CCCCCCCCCCCCCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 4.56 Num_rotatable_bonds: 13
MolWt: 241.42 Num_heavy_atoms: 17
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O