Glycoside
GD152817
Name:
2-[(2-{[1-(2,7-dihydroxy-6-methylhept-5-en-2-yl)-4-hydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxyoxan-4-yl acetateFormula:
C43H72O15Smiles:
CC(=O)OC1C(O)COC(OC2C(OC3CCC4(C)C(CC(O)C5(CO)C4CCC4C(C(C)(O)CCC=C(C)CO)CCC45C)C3(C)C)OC(CO)C(O)C2O)C1OAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)COSugarmoiety:
CC(=O)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 829.03 | Num_heavy_atoms: | 58 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD19949
Formula: C30H52O5
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
