Glycoside
GD158066
Name:
2-({1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-11-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C42H72O12Smiles:
CC1OC(OC2CC3C4(C)CCC(OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C3(C)CCC(C4(C)CCC(C(C)(C)O)O4)C23)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 769.03 | Num_heavy_atoms: | 54 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD08544
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
