Glycoside
...
GD001022

Name:
EPICOCCAMIDE C

Formula:
C31H53O10N

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(CCCCCCCCCCCCCCO)C(=O)C1=C(O)N(C)C(C)C1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.84
AlogP: 3.32 Num_rotatable_bonds: 20
MolWt: 599.76 Num_heavy_atoms: 42
TPSA: 163.06 NumAromaticRings: 0

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
AD01063
Formula: C23H41O4N

Smiles:
CC(CCCCCCCCCCCCCCO)C(=O)C1=C(O)N(C)C(C)C1=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.83
AlogP: 4.93 Num_rotatable_bonds: 16
MolWt: 395.58 Num_heavy_atoms: 28
TPSA: 77.84 NumAromaticRings: 0

Sugarmoiety
SD00017

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