Glycoside
GD132883
Name:
6-({2-carboxy-10-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-11-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C42H62O17Smiles:
CC12CCC3(C)C(=C1CC(C)(C(=O)O)C(OC1OC(C(=O)O)C(O)C(O)C1O)C2)C=CC1C2(C)CC(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)C(C)(C)C2CCC13CAglycone:
CC12CCC3(C)C(=C1CC(C)(C(=O)O)C(O)C2)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 838.94 | Num_heavy_atoms: | 59 |
| TPSA: | 290.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD53799
Formula: C30H46O5
Smiles:
CC12CCC3(C)C(=C1CC(C)(C(=O)O)C(O)C2)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
