Glycoside
GD115333
Name:
3'-O-DecarbamoylirumamycinFormula:
C40H64O11Smiles:
CCC(=O)C1(C)OC1C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(O)C(O)C(C)O2)C=CC(C)C(O)C1CAglycone:
CCC(=O)C1(C)OC1C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)C(O)C1CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 720.94 | Num_heavy_atoms: | 51 |
| TPSA: | 164.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD45600
Formula: C34H54O8
Smiles:
CCC(=O)C1(C)OC1C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)C(O)C1C| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 125.82 | NumAromaticRings: | 0 |
