Glycoside
GD127181
Name:
4-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,5a,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H46O10Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1OAglycone:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 566.69 | Num_heavy_atoms: | 40 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45889
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
