Glycoside
GD143906
Name:
5-{7-[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxy]-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2H-furan-2-oneFormula:
C29H42O11Smiles:
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5C(C6=C=CC(=O)O6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1CAglycone:
O=C1C=C=C(C2CCC3(O)C2CC(O)C2C3CCC3(O)CC(O)CC(O)C23CO)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1COther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD57855
Formula: C22H30O8
Smiles:
O=C1C=C=C(C2CCC3(O)C2CC(O)C2C3CCC3(O)CC(O)CC(O)C23CO)O1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.47 | Num_heavy_atoms: | 30 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
