Glycoside
...
GD020639

Name:
None

Formula:
C104H196O18N2

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@@H](O)[C@@H](CO)O[C@H]1OC[C@@H]1OC(=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@H]1O

Aglycone:
CCCCCCCCCCCCCC(O)CC(=O)NC1C(=O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CC(N)=O

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

Other Identifiers

Properties
HBA: 20 RingCount: 2
HBD: 8 FractionCSP3: 0.94
AlogP: 24.68 Num_rotatable_bonds: 91
MolWt: 1762.71 Num_heavy_atoms: 124
TPSA: 303.24 NumAromaticRings: 0

Unique Aglycone
AD10738
Formula: C38H71O9N

Smiles:
CCCCCCCCCCCCCC(O)CC(=O)NC1C(=O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCCCC
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.92
AlogP: 6.57 Num_rotatable_bonds: 31
MolWt: 685.98 Num_heavy_atoms: 48
TPSA: 162.62 NumAromaticRings: 0
AD10739
Formula: C16H32O3

Smiles:
CCCCCCCCCCCCCC(O)CC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.94
AlogP: 4.52 Num_rotatable_bonds: 14
MolWt: 272.43 Num_heavy_atoms: 19
TPSA: 57.53 NumAromaticRings: 0
AD14223
Formula: C44H87O3N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CC(N)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.95
AlogP: 14.64 Num_rotatable_bonds: 41
MolWt: 678.18 Num_heavy_atoms: 48
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00003

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