Glycoside
GD129847
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C42H62O17Smiles:
CC1(C(=O)O)CC2=C3C=CC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1Aglycone:
CC1(C(=O)O)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 838.94 | Num_heavy_atoms: | 59 |
| TPSA: | 290.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD52605
Formula: C30H46O5
Smiles:
CC1(C(=O)O)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1| 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 |
