Glycoside
GD152201
Name:
2-(hydroxymethyl)-6-{[6-(4-methoxy-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylhept-2-en-4-yl]oxy}oxane-3,4,5-triolFormula:
C43H72O13Smiles:
COC1C=C2C(CCC(OC3OC(CO)C(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CC(C=C(C)C)OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 797.04 | Num_heavy_atoms: | 56 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD05436
Formula: C31H52O3
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
