Glycoside
...
GD128198

Name:
Muraymycin D3

Formula:
C37H61O15N11

Smiles:
CC(C)CC(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(O)=NCCCNC(C(=O)O)C(OC1CC(O)C(CN)O1)C1OC(n2ccc(O)nc2=O)C(O)C1O

Aglycone:
CC(C)CC(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(O)=NCCCNC(CO)C(=O)O.O=c1nc(O)cc[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)CC1O

Other Identifiers

Properties
HBA: 26 RingCount: 4
HBD: 16 FractionCSP3: 0.73
AlogP: -2.98 Num_rotatable_bonds: 22
MolWt: 899.96 Num_heavy_atoms: 63
TPSA: 413.86 NumAromaticRings: 1

Unique Aglycone
AD15478
Formula: C4H4O2N2

Smiles:
O=c1nc(O)cc[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.52 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.98 NumAromaticRings: 1
AD51933
Formula: C24H44O8N8

Smiles:
CC(C)CC(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(O)=NCCCNC(CO)C(=O)O
HBA: 16 RingCount: 1
HBD: 11 FractionCSP3: 0.75
AlogP: -0.39 Num_rotatable_bonds: 17
MolWt: 572.66 Num_heavy_atoms: 40
TPSA: 264.57 NumAromaticRings: 0

Sugarmoiety
SD06564

NCC1OC(OOC2OC(O)C(O)C2O)CC1O