Glycoside

GD024133
Name:
NoneFormula:
C48H80O22Smiles:
CC1(C)CC2C3CCC4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)C5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@@]2(CO)[C@H](O)[C@H]1OAglycone:
CC1(C)CC2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 8 |
HBD: | 15 | FractionCSP3: | 0.98 |
AlogP: | -3.33 | Num_rotatable_bonds: | 11 |
MolWt: | 1009.15 | Num_heavy_atoms: | 70 |
TPSA: | 375.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD16147
Formula: C30H52O6
Smiles:
CC1(C)CC2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OHBA: | 6 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 1.0 |
AlogP: | 3.11 | Num_rotatable_bonds: | 2 |
MolWt: | 508.74 | Num_heavy_atoms: | 36 |
TPSA: | 121.38 | NumAromaticRings: | 0 |