Glycoside
GD138314
Name:
2-{[2-({1-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triolFormula:
C41H70O15Smiles:
CC(O)(CO)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)CC23C)O1Aglycone:
CC(O)(CO)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 803.0 | Num_heavy_atoms: | 56 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD55846
Formula: C30H52O6
Smiles:
CC(O)(CO)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
