Glycoside
...
GD141526

Name:
sideromycin b

Formula:
C42H74O17N6

Smiles:
CCC(NC)C1OC(O)C(OC2OC(COC(=O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCO)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)=NCCCCCO)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: 0.99 Num_rotatable_bonds: 33
MolWt: 935.08 Num_heavy_atoms: 65
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
AD57005
Formula: C33H57O13N5

Smiles:
O=C(CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCN=C(O)CCC(O)=NCCCCCO)OCC1OC(O)C(=O)C(O)C1O
HBA: 18 RingCount: 1
HBD: 9 FractionCSP3: 0.79
AlogP: 2.16 Num_rotatable_bonds: 28
MolWt: 731.84 Num_heavy_atoms: 51
TPSA: 296.47 NumAromaticRings: 0

Sugarmoiety
SD00017

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