Glycoside
GD115411
Name:
2,8-dihydroxy-3a,6,9b,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylhept-4-en-2-yl)-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C41H60O17Smiles:
Cc1c2c(cc(O)c1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C1(C)C(=O)CC3(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC3(C)C1C=C2Aglycone:
Cc1c(O)c(O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.73 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 824.91 | Num_heavy_atoms: | 58 |
| TPSA: | 296.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD14764
Formula: C29H40O7
Smiles:
Cc1c(O)c(O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.63 | Num_heavy_atoms: | 36 |
| TPSA: | 138.45 | NumAromaticRings: | 1 |
