Glycoside
GD116618
Name:
3-(7-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-3-yl]oxy}-3a,10-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C35H54O14Smiles:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CCOC3=O)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 698.8 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD46346
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CCOC3=O)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 |
