Glycoside
GD014354
Name:
NoneFormula:
C33H58O12N6Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)CC[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2OCCNCCc2ccccc2)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CCC(CO)OC1OC1C(N)CC(N)C(O)C1O.OCCNCCc1ccccc1Sugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.82 |
| AlogP: | -4.95 | Num_rotatable_bonds: | 16 |
| MolWt: | 730.86 | Num_heavy_atoms: | 51 |
| TPSA: | 307.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD07456
Formula: C12H25O5N3
Smiles:
NC1CCC(CO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.35 | Num_heavy_atoms: | 20 |
| TPSA: | 157.21 | NumAromaticRings: | 0 |
AD07499
Formula: C10H15ON
Smiles:
OCCNCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
