Glycoside
GD151712
Name:
Antibiotic Pf 1042Formula:
C45H62O16Smiles:
CCCCCC=CC=CC(=O)OCC1OC(OC2C(CO)OC3(OCc4cc(O)cc(O)c43)C(O)C2OC(=O)C=CC=CCC(O)C=CC=CCCCCC)C(O)C(O)C1OAglycone:
CCCCCC=CC=CC(=O)OC.CCCCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 22 |
| MolWt: | 858.98 | Num_heavy_atoms: | 61 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD10019
Formula: C11H18O2
Smiles:
CCCCCC=CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50574
Formula: C29H38O10
Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 546.61 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
