Glycoside
...
GD018908

Name:
None

Formula:
C61H106O10N2

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](OC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.O=C(O)Nc1cccc2ccccc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.8
AlogP: 13.89 Num_rotatable_bonds: 46
MolWt: 1027.52 Num_heavy_atoms: 73
TPSA: 187.04 NumAromaticRings: 2

Unique Aglycone
AD00325
Formula: C44H89O4N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.98
AlogP: 12.66 Num_rotatable_bonds: 41
MolWt: 696.2 Num_heavy_atoms: 49
TPSA: 89.79 NumAromaticRings: 0
AD13255
Formula: C11H9O2N

Smiles:
O=C(O)Nc1cccc2ccccc12
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.93 Num_rotatable_bonds: 1
MolWt: 187.2 Num_heavy_atoms: 14
TPSA: 49.33 NumAromaticRings: 2

Sugarmoiety
SD00003

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