Glycoside
GD116464
Name:
2-[(4,5-dihydroxy-2-{[4,7,8-trihydroxy-9a,11a-dimethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H62O13Smiles:
CC(C)=CCCC(C)C1CCC2C3C(O)C=C4C(OC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)CC4(C)C3CCC12CAglycone:
CC(C)=CCCC(C)C1CCC2C3C(O)C=C4C(O)C(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46249
Formula: C27H44O4
Smiles:
CC(C)=CCCC(C)C1CCC2C3C(O)C=C4C(O)C(O)C(O)CC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
