Glycoside
GD132834
Name:
Cytovaricin BFormula:
C48H82O16Smiles:
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(OC)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(OC)CC(O2)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 915.17 | Num_heavy_atoms: | 64 |
| TPSA: | 232.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD53777
Formula: C41H70O13
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(OC)CC(O2)C1C| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 771.0 | Num_heavy_atoms: | 54 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
