Glycoside
GD133888
Name:
5-Alpha-4,5-Dihydro-Scillaren AFormula:
C36H54O13Smiles:
CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(c5ccc(=O)oc5)CCC43O)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 694.82 | Num_heavy_atoms: | 49 |
| TPSA: | 208.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD54167
Formula: C24H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.53 | Num_heavy_atoms: | 28 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
