Glycoside
GD003184
Name:
NoneFormula:
C48H74O14Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)[C@H](C)C=C(C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)C=C(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 875.11 | Num_heavy_atoms: | 62 |
| TPSA: | 170.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD02913
Formula: C34H50O8
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)C=C(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.77 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
