Glycoside
GD117094
Name:
18-Dihydro-AngolamycinFormula:
C46H79O17NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2CC(N(C)C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(OC2CC(N(C)C)C(O)C(C)O2)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1COSugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 918.13 | Num_heavy_atoms: | 64 |
| TPSA: | 234.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD46634
Formula: C31H53O10N
Smiles:
CCC1OC(=O)CC(O)C(C)C(OC2CC(N(C)C)C(O)C(C)O2)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1CO| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 599.76 | Num_heavy_atoms: | 42 |
| TPSA: | 158.52 | NumAromaticRings: | 0 |
