Glycoside
...
GD038021

Name:
muraymycin d2

Formula:
C37H61O16N11

Smiles:
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(=O)O)C(C)C)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H](C(=O)O)[C@@H](O[C@H]1O[C@H](CN)[C@H](O)[C@@H]1O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O

Aglycone:
CC(C)CC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCN=C(N)N1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 4
HBD: 17 FractionCSP3: 0.73
AlogP: -6.52 Num_rotatable_bonds: 22
MolWt: 915.96 Num_heavy_atoms: 64
TPSA: 425.86 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD23832
Formula: C24H44O8N8

Smiles:
CC(C)CC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCN=C(N)N1)C(=O)NCCCNC(CO)C(=O)O
HBA: 16 RingCount: 1
HBD: 11 FractionCSP3: 0.75
AlogP: -2.49 Num_rotatable_bonds: 17
MolWt: 572.66 Num_heavy_atoms: 40
TPSA: 256.6 NumAromaticRings: 0

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O