Glycoside
GD114201
Name:
SwalpamycinFormula:
C37H56O14Smiles:
COC1C(OCC2C=CC=CC(=O)C(C)CC(C)C(OC3OC(C)CC4(OC(=O)OC4C)C3O)C(C)C=CC(=O)OC2C)OC(C)C(O)C1OCAglycone:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C=CC=CC(=O)C(C)CC2C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.84 | Num_heavy_atoms: | 51 |
| TPSA: | 174.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD44895
Formula: C29H42O10
Smiles:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C=CC=CC(=O)C(C)CC2C)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.65 | Num_heavy_atoms: | 39 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
