Glycoside
GD140279
Name:
4-(7-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,10-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C40H62O16Smiles:
CC1OC(OC2COC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5C(O)CC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 798.92 | Num_heavy_atoms: | 56 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD12646
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
