Glycoside
GD006711
Name:
NoneFormula:
C23H27O7N5Smiles:
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O[C@@H]2O[C@H](c4nnn[nH]4)[C@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5Aglycone:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5.c1nnn[nH]1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 485.5 | Num_heavy_atoms: | 35 |
| TPSA: | 166.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD01097
Formula: C17H19O3N
Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 52.93 | NumAromaticRings: | 1 |
AD05522
Formula: CH2N4
Smiles:
c1nnn[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 70.05 | Num_heavy_atoms: | 5 |
| TPSA: | 54.46 | NumAromaticRings: | 1 |
