Glycoside

GD019396
Name:
CAMELLIOSIDE GFormula:
C53H84O23Smiles:
COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(O)C(=O)C[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
HBA: | 23 | RingCount: | 9 |
HBD: | 12 | FractionCSP3: | 0.92 |
AlogP: | -1.81 | Num_rotatable_bonds: | 11 |
MolWt: | 1089.23 | Num_heavy_atoms: | 76 |
TPSA: | 359.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD04485
Formula: C29H46O3
Smiles:
CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 3 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.9 |
AlogP: | 6.07 | Num_rotatable_bonds: | 0 |
MolWt: | 442.68 | Num_heavy_atoms: | 32 |
TPSA: | 57.53 | NumAromaticRings: | 0 |