Glycoside
GD150616
Name:
10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylic acidFormula:
C42H66O15Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CC(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(CO)C2CCC13CAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 810.98 | Num_heavy_atoms: | 57 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD46801
Formula: C30H46O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
