Glycoside
GD147899
Name:
2-[(4,5-dihydroxy-2-{[11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(2,5,6-trihydroxy-6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H74O15Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 819.04 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD50405
Formula: C30H54O5
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.76 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
