Glycoside
GD021651
Name:
2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)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:
C35H50O12Smiles:
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=C[C@H]1[C@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@](C)(O)C(O)C=CC(C)(C)O)[C@@H](O)C[C@@]12CAglycone:
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(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.77 | Num_heavy_atoms: | 47 |
| TPSA: | 217.6 | 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 |
