Glycoside
GD146747
Name:
4-[7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C36H56O13Smiles:
COC1C(O)C(C)OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)C3)C(O)C2O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(OC2C(CO)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 696.83 | Num_heavy_atoms: | 49 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
