Glycoside
...
GD018057

Name:
None

Formula:
C96H181O21N2P

Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)NC1C(OCC2OC(O)C(NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.O=P(O)(O)O

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 8 FractionCSP3: 0.94
AlogP: 22.29 Num_rotatable_bonds: 84
MolWt: 1730.47 Num_heavy_atoms: 120
TPSA: 338.77 NumAromaticRings: 0

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
AD00509
Formula: C28H54O4

Smiles:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.93
AlogP: 8.99 Num_rotatable_bonds: 25
MolWt: 454.74 Num_heavy_atoms: 32
TPSA: 63.6 NumAromaticRings: 0
AD01232
Formula: C28H55O3N

Smiles:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 8.4 Num_rotatable_bonds: 25
MolWt: 453.75 Num_heavy_atoms: 32
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O