Glycoside
GD152203
Name:
(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl)oxidanesulfonic acidFormula:
C39H64O15SSmiles:
CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CC1C(OS(=O)(=O)O)C3Aglycone:
CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1C(OS(=O)(=O)O)C3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 804.99 | Num_heavy_atoms: | 55 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD60624
Formula: C27H44O5S
Smiles:
CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1C(OS(=O)(=O)O)C3| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.71 | Num_heavy_atoms: | 33 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
