Glycoside
GD133405
Name:
2-{[7,10-dihydroxy-1-(3-hydroxy-6-methylhept-5-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C33H54O8Smiles:
CC(C)=CCC(O)C(C)C1C(OC2OC(C)C(O)C(O)C2O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CAglycone:
CC(C)=CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.79 | Num_heavy_atoms: | 41 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD51242
Formula: C27H44O4
Smiles:
CC(C)=CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21C| 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 |
