Glycoside
GD137998
Name:
2-{[2-({7,11-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,8,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H72O14Smiles:
CC1CC2(C)C3CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC4(C)C3CC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2C(C)(C)C1OAglycone:
CC1CC2(C)C3CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC4(C)C3CC(O)C2C(C)(C)C1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD55725
Formula: C30H52O5
Smiles:
CC1CC2(C)C3CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC4(C)C3CC(O)C2C(C)(C)C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
