Glycoside

GD121503
Name:
Muraminomicin GFormula:
C42H67O16N5Smiles:
CCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(OC2CC(O)C(CN)O2)C2OC(n3ccc(O)nc3=O)CC2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OAglycone:
CCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(O)C2OC(n3ccc(O)nc3=O)CC2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OSugarmoiety:
NCC1OC(O)CC1OOther Identifiers
Properties
HBA: | 21 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.79 |
AlogP: | 1.28 | Num_rotatable_bonds: | 25 |
MolWt: | 898.02 | Num_heavy_atoms: | 63 |
TPSA: | 300.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD48913
Formula: C37H58O14N4
Smiles:
CCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(O)C2OC(n3ccc(O)nc3=O)CC2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OHBA: | 18 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.76 |
AlogP: | 1.82 | Num_rotatable_bonds: | 22 |
MolWt: | 782.89 | Num_heavy_atoms: | 55 |
TPSA: | 255.56 | NumAromaticRings: | 1 |