Glycoside
GD129980
Name:
Curassavioside D1Formula:
C53H80O19Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)c6ccccc6)C6(C)C(O)(C(C)O)CCC76O)C5)OC4C)OC3C)OC2C)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 1021.2 | Num_heavy_atoms: | 72 |
| TPSA: | 271.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD51511
Formula: C28H38O7
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.61 | Num_heavy_atoms: | 35 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
