Glycoside
...
GD035824

Name:
None

Formula:
C53H89O32N6P

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@H](OP(=O)(O)OC[C@H](OCCN(C4CCCCC4)C4CCCCC4)C(=O)O)O[C@H](C(N)=O)[C@@](C)(O)[C@H]3OC(N)=O)[C@H](NC(C)=O)[C@H]2O)O[C@H](C)[C@H](O[C@@H]2O[C@H](C(N)=O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
O=C(O)C(COP(=O)(O)O)OCCN(C1CCCCC1)C1CCCCC1

Sugarmoiety:
CC(=O)NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(N)=O)C(C)(O)C3OC(N)=O)C(NC(C)=O)C2O)OC(C)C(OC2OC(C(N)=O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 7
HBD: 20 FractionCSP3: 0.89
AlogP: -7.55 Num_rotatable_bonds: 27
MolWt: 1353.28 Num_heavy_atoms: 92
TPSA: 587.6 NumAromaticRings: 0

Unique Aglycone
AD22644
Formula: C17H32O7NP

Smiles:
O=C(O)C(COP(=O)(O)O)OCCN(C1CCCCC1)C1CCCCC1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.94
AlogP: 2.53 Num_rotatable_bonds: 10
MolWt: 393.42 Num_heavy_atoms: 26
TPSA: 116.53 NumAromaticRings: 0

Sugarmoiety
SD00557

CC(=O)NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(N)=O)C(C)(O)C3OC(N)=O)C(NC(C)=O)C2O)OC(C)C(OC2OC(C(N)=O)C(O)C(O)C2O)C1O