Glycoside

GD016294
Name:
NoneFormula:
C43H74O12N2Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](COc2ccccc2)OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1OAglycone:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COc2ccccc2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.84 |
AlogP: | 3.72 | Num_rotatable_bonds: | 10 |
MolWt: | 811.07 | Num_heavy_atoms: | 57 |
TPSA: | 158.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD11756
Formula: C35H60O9N2
Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COc2ccccc2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OHBA: | 11 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.8 |
AlogP: | 2.8 | Num_rotatable_bonds: | 7 |
MolWt: | 652.87 | Num_heavy_atoms: | 46 |
TPSA: | 130.39 | NumAromaticRings: | 1 |