Glycoside
GD138697
Name:
4-[3a,10-dihydroxy-7-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C36H56O11Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4C(O)CC4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2C)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 153.37 | 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 |
