Glycoside
GD012313
Name:
NoneFormula:
C17H23O8N3Smiles:
CC(C)C[C@H](NC(=O)C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)OAglycone:
C=CC(=O)NC(CC(C)C)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.38 | Num_heavy_atoms: | 28 |
| TPSA: | 170.95 | 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 |
AD09302
Formula: C9H15O3N
Smiles:
C=CC(=O)NC(CC(C)C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 185.22 | Num_heavy_atoms: | 13 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
