Glycoside
GD130891
Name:
18-Deoxy-18-DihydrospiramycinFormula:
C43H76O13N2Smiles:
CCC1CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
CCC1CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 829.08 | Num_heavy_atoms: | 58 |
| TPSA: | 178.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD53041
Formula: C28H49O7N
Smiles:
CCC1CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 511.7 | Num_heavy_atoms: | 36 |
| TPSA: | 97.69 | NumAromaticRings: | 0 |
