Glycoside
GD134491
Name:
6-{[2,3a-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-2-methyloxan-4-yl acetateFormula:
C43H66O15Smiles:
CC(=O)OC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12OSugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 822.99 | Num_heavy_atoms: | 58 |
| TPSA: | 209.13 | 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 |
