Glycoside
GD116447
Name:
versipelostatin aFormula:
C63H98O15Smiles:
CCC1=CC(CO)CC(C)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)C(C)CCC(C)C2C=C(C)C(C)CC23CC(=O)C(=C3O)C(=O)C2(CC)C1C(C)=CC1C(C)CC(=O)C(C)C12Aglycone:
CCC1=CC(CO)CC(C)C(O)C(C)CCC(C)C2C=C(C)C(C)CC23CC(=O)C(=C3O)C(=O)C2(CC)C1C(C)=CC1C(C)CC(=O)C(C)C12Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 9.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 1095.46 | Num_heavy_atoms: | 78 |
| TPSA: | 216.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD46237
Formula: C44H66O6
Smiles:
CCC1=CC(CO)CC(C)C(O)C(C)CCC(C)C2C=C(C)C(C)CC23CC(=O)C(=C3O)C(=O)C2(CC)C1C(C)=CC1C(C)CC(=O)C(C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 8.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 691.01 | Num_heavy_atoms: | 50 |
| TPSA: | 111.9 | NumAromaticRings: | 0 |
