Glycoside
GD127683
Name:
{7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl}methyl acetateFormula:
C37H56O15Smiles:
CC(=O)OCC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC(=O)OCC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 740.84 | Num_heavy_atoms: | 52 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD51707
Formula: C25H36O6
Smiles:
CC(=O)OCC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
