Glycoside
...
GD018950

Name:
None

Formula:
C70H130O18N2

Smiles:
CCCCCCCCCCC[C@H](O)CC(=O)NC1C(CC(=O)O)OC(COC2OC(CO)C(O)C(OC(=O)C[C@H](O)CCCCCCCCCCC)C2NC(=O)C[C@H](O)CCCCCCCCCCC)C(O)C1OC(=O)C[C@H](O)CCCCCCCCCCC

Aglycone:
CCCCCCCCCCCC(O)CC(=O)NC1C(CC(=O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(N)=O

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

Other Identifiers

Properties
HBA: 20 RingCount: 2
HBD: 10 FractionCSP3: 0.93
AlogP: 11.16 Num_rotatable_bonds: 58
MolWt: 1287.81 Num_heavy_atoms: 90
TPSA: 317.4 NumAromaticRings: 0

Unique Aglycone
AD00507
Formula: C14H28O3

Smiles:
CCCCCCCCCCCC(O)CC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 244.37 Num_heavy_atoms: 17
TPSA: 57.53 NumAromaticRings: 0
AD00508
Formula: C14H29O2N

Smiles:
CCCCCCCCCCCC(O)CC(N)=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.93
AlogP: 3.14 Num_rotatable_bonds: 12
MolWt: 243.39 Num_heavy_atoms: 17
TPSA: 63.32 NumAromaticRings: 0
AD13281
Formula: C36H67O10N

Smiles:
CCCCCCCCCCCC(O)CC(=O)NC1C(CC(=O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC
HBA: 11 RingCount: 1
HBD: 6 FractionCSP3: 0.92
AlogP: 5.32 Num_rotatable_bonds: 29
MolWt: 673.93 Num_heavy_atoms: 47
TPSA: 182.85 NumAromaticRings: 0

Sugarmoiety
SD00003

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