Glycoside
GD004072
Name:
MEPROSCILLARINFormula:
C31H44O8Smiles:
CO[C@@H]1[C@H](C)O[C@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.69 | Num_heavy_atoms: | 39 |
| TPSA: | 118.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00497
Formula: C24H32O4
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.52 | Num_heavy_atoms: | 28 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
