Glycoside
...
GD018654

Name:
MIFAMURTIDE

Formula:
C59H108O19N6P

Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)O[C@H]1[C@H](NC(C)=O)C(O)O[C@@H](CO)[C@H]1O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 1
HBD: 10 FractionCSP3: 0.86
AlogP: 5.13 Num_rotatable_bonds: 52
MolWt: 1236.51 Num_heavy_atoms: 85
TPSA: 378.93 NumAromaticRings: 0

Unique Aglycone
AD13123
Formula: C51H95O14N5P

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
HBA: 19 RingCount: 0
HBD: 7 FractionCSP3: 0.86
AlogP: 7.16 Num_rotatable_bonds: 48
MolWt: 1033.32 Num_heavy_atoms: 71
TPSA: 290.91 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O