Glycoside
GD130822
Name:
2-{[1-(5-ethyl-6-methylhept-6-en-2-yl)-5,5a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H60O8Smiles:
C=C(C)C(CC)CCC(C)C1CCC2C3CC(O)C4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
C=C(C)C(CC)CCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.86 | Num_heavy_atoms: | 43 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD53007
Formula: C29H50O3
Smiles:
C=C(C)C(CC)CCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.72 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
