Glycoside
...
GD124054

Name:
Stambomycin A

Formula:
C74H135O21N

Smiles:
CCC(C)CCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(OC3OC(C)C(O)C(N(C)C)C3O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(C)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2

Aglycone:
CCC(C)CCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(C)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2

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

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 16 FractionCSP3: 0.88
AlogP: 5.78 Num_rotatable_bonds: 8
MolWt: 1374.88 Num_heavy_atoms: 96
TPSA: 380.91 NumAromaticRings: 0

Unique Aglycone
AD50087
Formula: C66H120O18

Smiles:
CCC(C)CCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(C)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2
HBA: 18 RingCount: 2
HBD: 15 FractionCSP3: 0.86
AlogP: 6.36 Num_rotatable_bonds: 5
MolWt: 1201.67 Num_heavy_atoms: 84
TPSA: 338.98 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O