Glycoside
...
GD019205

Name:
None

Formula:
C62H113O9N

Smiles:
CCCCCCCCCC[C@@H]1C[C@H]1CCCCC=CCC[C@H](O)C(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCC=C(C)CCC=C(C)C)[C@H](O)CCCCCCC[C@@H]1C[C@H]1CCCCCCCCCC

Aglycone:
CC(C)=CCCC(C)=CCO.CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)NC(CO)C(O)CCCCCCCC1CC1CCCCCCCCCC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.89
AlogP: 13.69 Num_rotatable_bonds: 47
MolWt: 1016.58 Num_heavy_atoms: 72
TPSA: 157.94 NumAromaticRings: 0

Unique Aglycone
AD04659
Formula: C10H18O

Smiles:
CC(C)=CCCC(C)=CCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 0.6
AlogP: 2.67 Num_rotatable_bonds: 4
MolWt: 154.25 Num_heavy_atoms: 11
TPSA: 20.23 NumAromaticRings: 0
AD05248
Formula: C46H87O4N

Smiles:
CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)NC(CO)C(O)CCCCCCCC1CC1CCCCCCCCCC
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 12.15 Num_rotatable_bonds: 38
MolWt: 718.2 Num_heavy_atoms: 51
TPSA: 89.79 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O