Glycoside
GD122907
Name:
2-[(2-{7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-en-1-yl)oxy]-6-(methoxymethyl)oxane-3,4,5-triolFormula:
C37H64O8Smiles:
COCC1OC(OCC(CCC=C(C)C)C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(O)C(O)C1OAglycone:
CC(C)=CCCC(CO)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.91 | Num_heavy_atoms: | 45 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD49572
Formula: C30H52O3
Smiles:
CC(C)=CCCC(CO)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
