Glycoside
GD133098
Name:
4-{7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C37H58O11Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43C)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53884
Formula: C24H36O3
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.55 | Num_heavy_atoms: | 27 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
