Glycoside
GD152479
Name:
2-[(1-{2-hydroxy-6-methyl-7-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]hept-5-en-2-yl}-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy]-6-methoxyoxane-3,4,5-triolFormula:
C42H72O13Smiles:
COC1OC(OCC(C)=CCCC(C)(O)C2CCC3(C)C2CCC2C4(C)CCC(OC5OC(OC)C(O)C(O)C5O)C(C)(C)C4CCC23C)C(O)C(O)C1OAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C)COSugarmoiety:
COC1OC(O)C(O)C(O)C1O.COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 785.03 | Num_heavy_atoms: | 55 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD58165
Formula: C30H52O3
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C)CO| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
