Glycoside
GD021781
Name:
NoneFormula:
C35H59O8N5Smiles:
CC[C@H](C)[C@H]([C@H](O)CC(=O)NC[C@@H]1O[C@H](C(=O)NCc2ccccc2)[C@H](OC)[C@H]1OC)N(C)C(=O)[C@H](NC(=O)[C@H](NC)C(C)C)C(C)CAglycone:
CCC(C)C(C(O)CC(=O)NC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C.O=CNCc1ccccc1Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 19 |
| MolWt: | 677.88 | Num_heavy_atoms: | 48 |
| TPSA: | 167.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD03748
Formula: C8H9ON
Smiles:
O=CNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD14834
Formula: C21H42O4N4
Smiles:
CCC(C)C(C(O)CC(=O)NC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 414.59 | Num_heavy_atoms: | 29 |
| TPSA: | 110.77 | NumAromaticRings: | 0 |
