Glycoside
GD153714
Name:
4-{7-[(6-{[(6-{[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C42H66O18Smiles:
COC1C(O)C(C)OC(OCC2OC(OCC3OC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)C(O)C(O)C3O)C(O)C(O)C2O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 858.97 | Num_heavy_atoms: | 60 |
| TPSA: | 272.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
