Glycoside
GD117547
Name:
Nocardamin GlucuronideFormula:
C33H56O15N6Smiles:
O=C(O)C1OC(ON2CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC2=O)C(O)C(O)C1OAglycone:
O=C1CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 776.84 | Num_heavy_atoms: | 54 |
| TPSA: | 315.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD46876
Formula: C27H48O9N6
Smiles:
O=C1CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN1O| HBA: | 15 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 600.71 | Num_heavy_atoms: | 42 |
| TPSA: | 219.39 | NumAromaticRings: | 0 |
