Glycoside
GD156706
Name:
4-(2,3a-dihydroxy-7-{[6-(hydroxymethyl)-3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C37H58O15Smiles:
COC1C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OCAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12OSugarmoiety:
COC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 742.86 | Num_heavy_atoms: | 52 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06461
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
