Glycoside
GD153433
Name:
2-[(7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-{6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hept-5-en-2-yl}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O12Smiles:
CC(C)=CC(CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)OC1OC(C)C(O)C(O)C1OAglycone:
CC(C)=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3C(O)CC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 767.01 | Num_heavy_atoms: | 54 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD61022
Formula: C30H50O3
Smiles:
CC(C)=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3C(O)CC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
