Glycoside
GD152342
Name:
30-hydroxy-5,6-dehydro- 1-n-demethyl-16-deoxy-kirrothricinFormula:
C42H58O10N2Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C(O)C=CC=CC=CC=C(C)C(=O)c2c(O)ccnc2O)C(O)C(O)C1(C)CAglycone:
C=CC=CC.CCCC(O)=NCC=CC=C(C)C(OC)C(C)C(O)C=CC=CC=CC=C(C)C(=O)c1c(O)ccnc1OSugarmoiety:
CC1(C)OOC(O)(O)C(O)C1O.COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 18 |
| MolWt: | 750.93 | Num_heavy_atoms: | 54 |
| TPSA: | 202.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD00163
Formula: C5H8
Smiles:
C=CC=CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 68.12 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD60671
Formula: C30H40O6N2
Smiles:
CCCC(O)=NCC=CC=C(C)C(OC)C(C)C(O)C=CC=CC=CC=C(C)C(=O)c1c(O)ccnc1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 15 |
| MolWt: | 524.66 | Num_heavy_atoms: | 38 |
| TPSA: | 132.47 | NumAromaticRings: | 1 |
