Glycoside
GD127259
Name:
3,5-dihydroxy-2-{[7-hydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-9-{[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-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C41H68O15Smiles:
CC(=O)OC1C(O)C(CO)OC(OC2CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C(C)C(O)CCC(C)C)C1OAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 800.98 | Num_heavy_atoms: | 56 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06943
Formula: C27H46O4
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
