Glycoside
GD141015
Name:
4-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3a,5a,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C34H52O15Smiles:
CC12CCC(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 700.77 | Num_heavy_atoms: | 49 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD45889
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
