Glycoside
...
GD147731

Name:
Aflastatin B

Formula:
C61H113O24N

Smiles:
CCCCCCCCCC(O)CC1(O)OC(CC(O)C(O)C(O)C(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)C(C)C(O)C(O)CC(C)CC(C)C=C(C)C(O)=C2C(=O)C(C)N=C2O)C(O)C(O)C1O

Aglycone:
CC(=CC(C)CC(C)CC(O)C(O)C(C)C(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(C)O)C(O)=C1C(=O)C(C)N=C1O.CCCCCCCCCC(C)O

Sugarmoiety:
OC(O)C(O)C(O)C(O)C(O)CC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 2
HBD: 22 FractionCSP3: 0.9
AlogP: -0.67 Num_rotatable_bonds: 41
MolWt: 1244.56 Num_heavy_atoms: 86
TPSA: 483.72 NumAromaticRings: 0

Unique Aglycone
AD59154
Formula: C39H71O13N

Smiles:
CC(=CC(C)CC(C)CC(O)C(O)C(C)C(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(C)O)C(O)=C1C(=O)C(C)N=C1O
HBA: 14 RingCount: 1
HBD: 12 FractionCSP3: 0.85
AlogP: 1.7 Num_rotatable_bonds: 23
MolWt: 761.99 Num_heavy_atoms: 53
TPSA: 272.19 NumAromaticRings: 0
AD59155
Formula: C11H24O

Smiles:
CCCCCCCCCC(C)O
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 3.51 Num_rotatable_bonds: 8
MolWt: 172.31 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD09482

OC(O)C(O)C(O)C(O)C(O)CC1OC(O)(O)C(O)C(O)C1O