Glycoside
GD157309
Name:
2-[(6-{3a,6,6,9a,11a-pentamethyl-7,10-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-en-4-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C48H80O15Smiles:
CC(C)=CC(CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3C(OC3OC(C)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.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 897.15 | Num_heavy_atoms: | 63 |
| TPSA: | 237.45 | 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 |
