Glycoside
GD151398
Name:
2-hydroxy-1-[2-(hydroxymethyl)-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopropyl]-2-{2,7,9,10-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}propan-1-oneFormula:
C33H52O13Smiles:
CC(O)(C(=O)C1CC1(CO)COC1OC(CO)C(O)C(O)C1O)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC21CAglycone:
CC(O)(C(=O)C1CC1(CO)CO)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.77 | Num_heavy_atoms: | 46 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD60385
Formula: C27H42O8
Smiles:
CC(O)(C(=O)C1CC1(CO)CO)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC21C| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 158.68 | NumAromaticRings: | 0 |
