Glycoside
GD031645
Name:
SORDARINFormula:
C27H40O8Smiles:
CO[C@H]1[C@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)CC2C=C(C(C)C)[C@]34C(=O)O)[C@@H](O)[C@H]1OAglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.61 | Num_heavy_atoms: | 35 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00440
Formula: C20H28O4
Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
