Glycoside
...
GD151655

Name:
Ammocidin C

Formula:
C53H86O17

Smiles:
COCCCC1OC(O)(C(C)C2CC(C)CC=C(C)C=C(C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O2)C(OC)C(O)C1(C)OC1CC(C)(O)C(O)C(C)O1

Aglycone:
CCC1CC(C)CC=C(C)C=C(C)C=C(C)C(O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O1.CCCOC

Sugarmoiety:
COC1C(O)C(C)(O)C(O)OC1(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.75
AlogP: 4.99 Num_rotatable_bonds: 12
MolWt: 995.25 Num_heavy_atoms: 70
TPSA: 241.75 NumAromaticRings: 0

Unique Aglycone
AD01544
Formula: C4H10O

Smiles:
CCCOC
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.04 Num_rotatable_bonds: 2
MolWt: 74.12 Num_heavy_atoms: 5
TPSA: 9.23 NumAromaticRings: 0
AD60455
Formula: C29H44O4

Smiles:
CCC1CC(C)CC=C(C)C=C(C)C=C(C)C(O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.55
AlogP: 7.0 Num_rotatable_bonds: 2
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 55.76 NumAromaticRings: 0

Sugarmoiety
SD09830

COC1C(O)C(C)(O)C(O)OC1(O)O