Glycoside
GD137876
Name:
selvamicinFormula:
C47H76O18Smiles:
CCC1OC(=O)CCC(O)C(O)CC(O)CC2(O)CC(O)C(C)(O)C(CC(OC3OC(C)C(O)C(O)C3O)C=CC=CC=CC=CC=CC(C)C(OC3CC(O)C(OC)C(C)O3)C1C)O2Aglycone:
CCC1OC(=O)CCC(O)C(O)CC(O)CC2(O)CC(O)C(C)(O)C(CC(O)C=CC=CC=CC=CC=CC(C)C(O)C1C)O2Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.COC1C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.77 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 929.11 | Num_heavy_atoms: | 65 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55683
Formula: C34H54O11
Smiles:
CCC1OC(=O)CCC(O)C(O)CC(O)CC2(O)CC(O)C(C)(O)C(CC(O)C=CC=CC=CC=CC=CC(C)C(O)C1C)O2| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 638.8 | Num_heavy_atoms: | 45 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
