Glycoside
GD133003
Name:
4-[7-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3a,10-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C33H50O13Smiles:
CC12CCC(OC3OCC(OC4OCC(O)C(O)C4O)C(O)C3O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.75 | Num_heavy_atoms: | 46 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD12646
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| 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 |
