Glycoside
GD152640
Name:
NoneFormula:
C21H31O7N3Smiles:
COC(=O)CC(C)(C)CC(O)=NCC1OC(CC(O)=NCc2ccccn2)C(O)C1OAglycone:
CC(O)=NCc1ccccn1.CN=C(O)CC(C)(C)CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 437.49 | Num_heavy_atoms: | 31 |
| TPSA: | 154.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD46260
Formula: C8H10ON2
Smiles:
CC(O)=NCc1ccccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
AD50042
Formula: C9H17O3N
Smiles:
CN=C(O)CC(C)(C)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
