Glycoside
GD009758
Name:
NoneFormula:
C37H56O15N8Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](COC(=O)Nc3ccccc3)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2OC(=O)Nc2ccccc2)[C@H](N)[C@H](O)[C@H]1OAglycone:
COC(=O)Nc1ccccc1.NC1CC(N)C(O)C(O)C1O.O=C(O)Nc1ccccc1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.62 |
| AlogP: | -4.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 852.9 | Num_heavy_atoms: | 60 |
| TPSA: | 389.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD03528
Formula: C8H9O2N
Smiles:
COC(=O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD03530
Formula: C7H7O2N
Smiles:
O=C(O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
