Glycoside
GD153978
Name:
2-[(5-hydroxy-6-{[1-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H56O12Smiles:
COC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.81 | Num_heavy_atoms: | 46 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD44042
Formula: C21H34O3
Smiles:
CC(O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
