Glycoside
GD017306
Name:
NoneFormula:
C67H113O18N11Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](COC(=O)NC4CCCCC4)[C@H](OC(=O)NC4CCCCC4)[C@H](N)[C@H]3OC(=O)NC3CCCCC3)[C@H]2OC(=O)NC2CCCCC2)[C@H](OC(=O)NC2CCCCC2)[C@H](OC(=O)NC2CCCCC2)[C@H]1OC(=O)NC1CCCCC1Aglycone:
COC(=O)NC1CCCCC1.NC1CC(N)C(O)C(OC(=O)NC2CCCCC2)C1O.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.9 |
| AlogP: | 7.17 | Num_rotatable_bonds: | 20 |
| MolWt: | 1360.7 | Num_heavy_atoms: | 96 |
| TPSA: | 409.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD02813
Formula: C8H15O2N
Smiles:
COC(=O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
AD03076
Formula: C7H13O2N
Smiles:
O=C(O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
AD12363
Formula: C13H25O4N3
Smiles:
NC1CC(N)C(O)C(OC(=O)NC2CCCCC2)C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 287.36 | Num_heavy_atoms: | 20 |
| TPSA: | 130.83 | NumAromaticRings: | 0 |
