Glycoside
GD137305
Name:
methyl 2-{[9a-hydroperoxy-3a,8-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-5-methyloxolane-3-carboxylateFormula:
C29H42O11Smiles:
COC(=O)C1(O)CC(C)OC1OC1CC2CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C2(OO)CC1OAglycone:
CC12CCC3C(CCC4CC(O)C(O)CC43OO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC(=O)C1(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55478
Formula: C22H32O7
Smiles:
CC12CCC3C(CCC4CC(O)C(O)CC43OO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 408.49 | Num_heavy_atoms: | 29 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
