Glycoside

GD040124
Name:
[1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acidFormula:
C27H42O8Smiles:
CO[C@H]1[C@@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2CC(C(C)C)[C@]34C(=O)O)[C@@H](O)[C@H]1OAglycone:
CC(C)C1CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.93 |
AlogP: | 2.49 | Num_rotatable_bonds: | 7 |
MolWt: | 494.63 | Num_heavy_atoms: | 35 |
TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD24671
Formula: C20H30O4
Smiles:
CC(C)C1CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OHBA: | 4 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.9 |
AlogP: | 2.98 | Num_rotatable_bonds: | 4 |
MolWt: | 334.46 | Num_heavy_atoms: | 24 |
TPSA: | 74.6 | NumAromaticRings: | 0 |