Glycoside
GD035025
Name:
3a,8-dihydroxy-7-{[3-hydroxy-3-(methoxycarbonyl)-5-methyloxolan-2-yl]oxy}-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylic acidFormula:
C30H42O11Smiles:
COC(=O)[C@]1(O)C[C@H](C)O[C@H]1O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]34O)[C@@]2(C(=O)O)C[C@H]1OAglycone:
CC12CCC3C(CCC4CC(O)C(O)CC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC(=O)C1(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD22193
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4CC(O)C(O)CC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
