Glycoside
GD020483
Name:
NoneFormula:
C34H57O13N9Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CNC(=O)[C@H](N)Cc3c[nH]c4ccccc34)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)Cc1c[nH]c2ccccc12.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 22 | FractionCSP3: | 0.74 |
| AlogP: | -7.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 799.88 | Num_heavy_atoms: | 56 |
| TPSA: | 403.79 | 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 |
AD14138
Formula: C12H15ON3
Smiles:
CNC(=O)C(N)Cc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 217.27 | Num_heavy_atoms: | 16 |
| TPSA: | 70.91 | NumAromaticRings: | 2 |
