Glycoside
GD023729
Name:
NoneFormula:
C37H63O8N5Smiles:
CC[C@H](C)[C@H]([C@H](CC(=O)NC[C@@H]1O[C@H](C(=O)NCCc2ccccc2)[C@H](OC)[C@H]1OC)OC)N(C)C(=O)[C@H](NC(=O)[C@H](NC)C(C)C)C(C)CAglycone:
CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C.O=CNCCc1ccccc1Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 21 |
| MolWt: | 705.94 | Num_heavy_atoms: | 50 |
| TPSA: | 156.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD01159
Formula: C9H11ON
Smiles:
O=CNCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD15934
Formula: C22H44O4N4
Smiles:
CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 428.62 | Num_heavy_atoms: | 30 |
| TPSA: | 99.77 | NumAromaticRings: | 0 |
