Glycoside
GD137121
Name:
6-({6-[(6-{[3a,11-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-4-hydroxy-2-methyloxan-3-yl acetateFormula:
C43H66O15Smiles:
CC(=O)OC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC1CAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1C(O)CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC1COther 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
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 |
