Glycoside
GD136463
Name:
3,5-dihydroxy-2-{[1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-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-2-yl]oxy}-6-methyloxan-4-yl acetateFormula:
C41H68O13Smiles:
CC(=O)OC1C(O)C(C)OC(OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C(C)C(O)CCC(C)C)C1OAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD16126
Formula: C27H46O3
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
