Glycoside
GD130029
Name:
dnhsipaFormula:
C44H64O9N2Smiles:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3CC(C)(O)C(=O)C(C)O3)C(O)C2N)C=CC=C1Aglycone:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1.CC1OC(O)CC(C)(O)C1=OSugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 6.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 765.0 | Num_heavy_atoms: | 55 |
| TPSA: | 173.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD46256
Formula: C32H45O3N
Smiles:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 491.72 | Num_heavy_atoms: | 36 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
AD48732
Formula: C7H12O4
Smiles:
CC1OC(O)CC(C)(O)C1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
