Glycoside
GD028599
Name:
NoneFormula:
C17H21O7N3Smiles:
CN(Cc1ccco1)C(=O)CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCC(=O)N(C)Cc1ccco1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 379.37 | Num_heavy_atoms: | 27 |
| TPSA: | 138.0 | NumAromaticRings: | 2 |
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 |
AD18672
Formula: C9H13O2N
Smiles:
CCC(=O)N(C)Cc1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 33.45 | NumAromaticRings: | 1 |
