Glycoside
...
GD149356

Name:
Aflastatin A

Formula:
C62H115O24N

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(C)C2=O)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(C)C1=O.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: 21 FractionCSP3: 0.9
AlogP: -1.17 Num_rotatable_bonds: 41
MolWt: 1258.59 Num_heavy_atoms: 87
TPSA: 471.44 NumAromaticRings: 0

Unique Aglycone
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
AD59733
Formula: C40H73O13N

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(C)C1=O
HBA: 14 RingCount: 1
HBD: 11 FractionCSP3: 0.85
AlogP: 1.21 Num_rotatable_bonds: 23
MolWt: 776.02 Num_heavy_atoms: 54
TPSA: 259.91 NumAromaticRings: 0

Sugarmoiety
SD09482

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