Glycoside
...
GD038858

Name:
9-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-2,10-dihydroxy-7-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one

Formula:
C42H78O14N2

Smiles:
CC[C@H]1OC(=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](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@H]2C)[C@@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 5 FractionCSP3: 0.98
AlogP: 2.2 Num_rotatable_bonds: 12
MolWt: 835.09 Num_heavy_atoms: 58
TPSA: 196.33 NumAromaticRings: 0

Unique Aglycone
AD02635
Formula: C34H64O11N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.97
AlogP: 1.28 Num_rotatable_bonds: 9
MolWt: 676.89 Num_heavy_atoms: 47
TPSA: 168.64 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O