Glycoside
GD146511
Name:
4-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C35H54O15Smiles:
CC12CCC3C(CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 714.8 | Num_heavy_atoms: | 50 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01385
Formula: C23H34O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
