Glycoside
GD024219
Name:
FormamicinFormula:
C44H72O13Smiles:
CCCCC[C@@H]1OCO[C@]2(C)C=C(C)C=CC(=O)O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]3(O)C[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)[C@H](C)O3)[C@H](OC)C=CC=C(C)C[C@H]1[C@H]2OAglycone:
CCCCCC1OCOC2(C)C=C(C)C=CC(=O)OC(C(C)C(O)C(C)C3(O)CC(O)C(C)C(C)O3)C(OC)C=CC=C(C)CC1C2OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 809.05 | Num_heavy_atoms: | 57 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD16185
Formula: C38H62O10
Smiles:
CCCCCC1OCOC2(C)C=C(C)C=CC(=O)OC(C(C)C(O)C(C)C3(O)CC(O)C(C)C(C)O3)C(OC)C=CC=C(C)CC1C2O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.9 | Num_heavy_atoms: | 48 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
