Glycoside
GD147106
Name:
4-{7-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2,3a,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C34H52O14Smiles:
CC1OC(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)C(O)CC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 684.78 | Num_heavy_atoms: | 48 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD58922
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)C(O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
