Glycoside
GD019596
Name:
NoneFormula:
C20H23O7N5Smiles:
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NC[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)Cc1c[nH]c2ccc(O)cc12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.43 | Num_heavy_atoms: | 32 |
| TPSA: | 195.69 | NumAromaticRings: | 3 |
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 |
AD13660
Formula: C12H15O2N3
Smiles:
CNC(=O)C(N)Cc1c[nH]c2ccc(O)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 91.14 | NumAromaticRings: | 2 |
