Glycoside
GD148926
Name:
2-{[6-(1-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-4-hydroxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H66O15Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(C=CC4C3CCC3(C)C4CCC3(O)C(C)OC3CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C2)C1OAglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1O.COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 786.95 | Num_heavy_atoms: | 55 |
| TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46010
Formula: C21H34O3
Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
