Glycoside
...
GD022250

Name:
OHARRINGTONINE

Formula:
C28H37O9N

Smiles:
COC(=O)C(O)C(O)(CCC(C)C)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4

Aglycone:
CCC(C)C.COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4

Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 2 FractionCSP3: 0.64
AlogP: 2.05 Num_rotatable_bonds: 8
MolWt: 531.6 Num_heavy_atoms: 38
TPSA: 123.99 NumAromaticRings: 1

Unique Aglycone
AD00195
Formula: C5H12

Smiles:
CCC(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 2.05 Num_rotatable_bonds: 1
MolWt: 72.15 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD00196
Formula: C18H21O3N

Smiles:
COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4
HBA: 4 RingCount: 5
HBD: 0 FractionCSP3: 0.56
AlogP: 2.82 Num_rotatable_bonds: 1
MolWt: 299.37 Num_heavy_atoms: 22
TPSA: 30.93 NumAromaticRings: 1

Sugarmoiety
SD00080

COC(=O)C(O)C(O)(O)C(=O)O