Glycoside
GD136819
Name:
4-[(2-{[1-(4,5-dihydroxy-2,6,6-trimethyloxan-2-yl)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triolFormula:
C42H72O13Smiles:
CC1(C)OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(OC5OCC(O)C(O)C5OC5CC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)CC(O)C1OAglycone:
CC1(C)OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC(O)C1O.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 785.03 | Num_heavy_atoms: | 55 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD47816
Formula: C30H52O5
Smiles:
CC1(C)OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC(O)C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
