Glycoside
GD126664
Name:
4-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a,5a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C35H54O15Smiles:
CC12CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
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: | -1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 714.8 | Num_heavy_atoms: | 50 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00285
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| 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 |
