Glycoside
...
GD012785

Name:
6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Formula:
C46H80O13N2

Smiles:
CC[C@@H]1OC(=O)CC(O)[C@H](C)[C@H](OC2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCN2C[C@@H](C)C[C@@H](C)C2)CC(C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.87
AlogP: 3.34 Num_rotatable_bonds: 12
MolWt: 869.15 Num_heavy_atoms: 61
TPSA: 186.15 NumAromaticRings: 0

Unique Aglycone
AD01474
Formula: C30H51O6N

Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1CO
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.8
AlogP: 3.76 Num_rotatable_bonds: 5
MolWt: 521.74 Num_heavy_atoms: 37
TPSA: 107.3 NumAromaticRings: 0

Sugarmoiety
SD00044

CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC