Glycoside
GD000369
Name:
NoneFormula:
C16H25O7N5Smiles:
CCCCC(N)C(=O)NC(C(N)=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCC(N)C(=O)NCC(N)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.4 | Num_heavy_atoms: | 28 |
| TPSA: | 202.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00416
Formula: C8H17O2N3
Smiles:
CCCCC(N)C(=O)NCC(N)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 98.21 | NumAromaticRings: | 0 |
