Glycoside
GD019740
Name:
CytovaricinFormula:
C47H80O16Smiles:
CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(OC3CC(OC)C(O)C(C)O3)C(O)C(C)(O)CCCC=CC3CC(C)COC3(O)CC(O2)C1CAglycone:
CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCC=CC3CC(C)COC3(O)CC(O2)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 901.14 | Num_heavy_atoms: | 63 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD13738
Formula: C40H68O13
Smiles:
CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCC=CC3CC(C)COC3(O)CC(O2)C1C| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 756.97 | Num_heavy_atoms: | 53 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
