Glycoside
GD150583
Name:
IrumamycinFormula:
C41H65O12NSmiles:
CCC(=O)C1(C)OC1C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(OC(=N)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(OC(=N)O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 5.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 763.97 | Num_heavy_atoms: | 54 |
| TPSA: | 197.59 | 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 |
