Glycoside
GD022047
Name:
4-[7-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-2,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C35H54O11Smiles:
CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)[C@H](C6=CC(=O)OC6)C(O)CC54O)C3)OC2C)CC(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.81 | Num_heavy_atoms: | 46 |
| TPSA: | 164.37 | 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 |
