Glycoside
...
GD125267

Name:
sideromycin c

Formula:
C41H72O17N6

Smiles:
CCC(NC)C1OC(O)C(OC2OC(COC(=O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCO)C(O)C(O)C2=O)C(O)C1O

Aglycone:
CCCNC.O=C(CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCO)OCC1OC(O)C(=O)C(O)C1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 12 FractionCSP3: 0.83
AlogP: 0.6 Num_rotatable_bonds: 32
MolWt: 921.05 Num_heavy_atoms: 64
TPSA: 367.42 NumAromaticRings: 0

Unique Aglycone
AD02160
Formula: C4H11N

Smiles:
CCCNC
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.62 Num_rotatable_bonds: 2
MolWt: 73.14 Num_heavy_atoms: 5
TPSA: 12.03 NumAromaticRings: 0
AD50656
Formula: C32H55O13N5

Smiles:
O=C(CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCO)OCC1OC(O)C(=O)C(O)C1O
HBA: 18 RingCount: 1
HBD: 9 FractionCSP3: 0.78
AlogP: 1.77 Num_rotatable_bonds: 27
MolWt: 717.81 Num_heavy_atoms: 50
TPSA: 296.47 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O