Glycoside
GD152495
Name:
2-{[2-(1,2-dihydroxyethyl)-6-hydroxy-8-(hydroxymethyl)-4b,8-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O10Smiles:
CC1(CO)CC(O)CC2(C)C3CCC(COC4OC(CO)C(O)C(O)C4O)(C(O)CO)C=C3CCC12Aglycone:
CC1(CO)CC(O)CC2(C)C3CCC(CO)(C(O)CO)C=C3CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.63 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD60715
Formula: C20H34O5
Smiles:
CC1(CO)CC(O)CC2(C)C3CCC(CO)(C(O)CO)C=C3CCC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.49 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
