Glycoside
...
GD144882

Name:
Daphnezomine P

Formula:
C40H57O13N

Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C3CC45CN(C)CC(CCC6=C4C3CC6)C53CCC(O)(C(C)C)OC3)C(O)C(O)C2O)C2C(CO)=CCC12

Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12.COC(=O)C1CC23CN(C)CC(CCC4=C2C1CC4)C31CCC(O)(C(C)C)OC1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 5 FractionCSP3: 0.8
AlogP: 1.53 Num_rotatable_bonds: 8
MolWt: 759.89 Num_heavy_atoms: 54
TPSA: 193.91 NumAromaticRings: 0

Unique Aglycone
AD01075
Formula: C11H14O5

Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.55
AlogP: -0.05 Num_rotatable_bonds: 2
MolWt: 226.23 Num_heavy_atoms: 16
TPSA: 75.99 NumAromaticRings: 0
AD53842
Formula: C24H37O4N

Smiles:
COC(=O)C1CC23CN(C)CC(CCC4=C2C1CC4)C31CCC(O)(C(C)C)OC1
HBA: 5 RingCount: 5
HBD: 1 FractionCSP3: 0.88
AlogP: 3.37 Num_rotatable_bonds: 2
MolWt: 403.56 Num_heavy_atoms: 29
TPSA: 59.0 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O