Glycoside
...
GD125854

Name:
Mocimycin

Formula:
C43H60O12N2

Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccnc3O)C(O)C2O)C(O)C(O)C1(C)C

Aglycone:
C=CC=CC.C=CC=CC=C(C)C(=O)c1c(O)ccnc1O.CCCC(O)=NCC=CC=C(C)C(CC)OC

Sugarmoiety:
CC1(C)OOC(O)(O)C(O)C1O.CO.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.51
AlogP: 4.33 Num_rotatable_bonds: 17
MolWt: 796.96 Num_heavy_atoms: 57
TPSA: 231.85 NumAromaticRings: 1

Unique Aglycone
AD00163
Formula: C5H8

Smiles:
C=CC=CC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.2
AlogP: 1.75 Num_rotatable_bonds: 1
MolWt: 68.12 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD45642
Formula: C14H25O2N

Smiles:
CCCC(O)=NCC=CC=C(C)C(CC)OC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.64
AlogP: 3.67 Num_rotatable_bonds: 8
MolWt: 239.36 Num_heavy_atoms: 17
TPSA: 41.82 NumAromaticRings: 0
AD48655
Formula: C13H13O3N

Smiles:
C=CC=CC=C(C)C(=O)c1c(O)ccnc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.08
AlogP: 2.36 Num_rotatable_bonds: 4
MolWt: 231.25 Num_heavy_atoms: 17
TPSA: 70.42 NumAromaticRings: 1

Sugarmoiety
SD01246

CC1(C)OOC(O)(O)C(O)C1O.CO.OC1OC(O)C(O)C1O