Glycoside
GD135716
Name:
16-O-Α-D-Tetraacetylglucopyranosyl Hymatoxin CFormula:
C34H50O12Smiles:
CC(=O)OCC1OC(OCCC2(C)CCC3C(=CCC4C(C)(C(=O)O)CCCC34C)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1(CCO)CCC2C(=CCC3C(C)(C(=O)O)CCCC23C)C1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 160.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD54434
Formula: C20H32O3
Smiles:
CC1(CCO)CCC2C(=CCC3C(C)(C(=O)O)CCCC23C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
