Glycoside
GD129143
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C35H56O10Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C3CCC3C(C)(CO)C(O)CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(CO)C(O)CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52312
Formula: C29H46O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(CO)C(O)CCC43C)C2C1(C)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
