Glycoside
GD137236
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C42H68O13Smiles:
CC1OC(OC2C(OC3CCC4C(=CCC5C4(C)C(=O)CC4(C)C(C(C)(O)CC=CC(C)(C)O)CCC54C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50540
Formula: C30H48O4
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
