Glycoside
GD126667
Name:
1-(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methylheptan-2-yl)-3a,5a,7-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C39H64O15Smiles:
CC(CCCC(C)(C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3CCC12CAglycone:
CC(CCCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 772.93 | Num_heavy_atoms: | 54 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD51268
Formula: C27H44O5
Smiles:
CC(CCCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
