Glycoside
GD122068
Name:
DesertomycinFormula:
C61H109O21NSmiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCN)OC1=OAglycone:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCN)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 2 |
| HBD: | 19 | FractionCSP3: | 0.82 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 1192.53 | Num_heavy_atoms: | 83 |
| TPSA: | 414.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD49170
Formula: C55H99O16N
Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCN)OC1=O| HBA: | 17 | RingCount: | 1 |
| HBD: | 16 | FractionCSP3: | 0.8 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 1030.39 | Num_heavy_atoms: | 72 |
| TPSA: | 335.54 | NumAromaticRings: | 0 |
