Glycoside
GD010195
Name:
NoneFormula:
C49H76O18N2Smiles:
CC1CC[C@]2(OC1)OC1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](COC(=O)N8CCOCC8)[C@H](OC(=O)N8CCOCC8)[C@H](O)C7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4C(=O)C[C@@]3(C)C1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.COC(=O)N1CCOCC1.O=C(O)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 981.14 | Num_heavy_atoms: | 69 |
| TPSA: | 251.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01997
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD07915
Formula: C6H11O3N
Smiles:
COC(=O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 38.77 | NumAromaticRings: | 0 |
AD07916
Formula: C5H9O3N
Smiles:
O=C(O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 49.77 | NumAromaticRings: | 0 |
