Glycoside
GD150723
Name:
4-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,3b-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H46O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C5=CC(=O)OC5)CCC34O)C2)C1OAglycone:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CCC21OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD14027
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CCC21O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
