Glycoside
GD118051
Name:
9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-3,10-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C42H68O15Smiles:
CC1C(OC2OC(CO)C(O)C(O)C2O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1CAglycone:
CC1C(O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD47149
Formula: C30H48O5
Smiles:
CC1C(O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
