Glycoside
GD154253
Name:
6-{[3a,11-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-methyloxan-4-yl acetateFormula:
C42H64O17Smiles:
CC(=O)OC1CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 840.96 | Num_heavy_atoms: | 59 |
| TPSA: | 249.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD02796
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(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 |
