Glycoside
GD153832
Name:
methyl 2-{[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:
C29H42O9Smiles:
COC(=O)C1(O)CC(C)OC1OC1CC2CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C2CC1OAglycone:
CC12CCC3C4CC(O)C(O)CC4CCC3C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC(=O)C1(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD61149
Formula: C22H32O5
Smiles:
CC12CCC3C4CC(O)C(O)CC4CCC3C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.49 | Num_heavy_atoms: | 27 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
