Glycoside
GD133538
Name:
6-{[2,3a,3b-trihydroxy-9a,11a-dimethyl-3-oxo-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:
C42H62O19Smiles:
CC(=O)OC1CC(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C5=CC(=O)OC5)C(O)C(=O)C34O)C2)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)C(O)C(=O)C21OSugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 870.94 | Num_heavy_atoms: | 61 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD54042
Formula: C23H32O7
Smiles:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)C(O)C(=O)C21O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
