Glycoside
...
GD037988

Name:
(1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid

Formula:
C47H83O17N

Smiles:
C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H](C(=O)O)[C@@H](C[C@H](O[C@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)CCCCCCCCCC=CCC=C[C@@H](C)[C@H](O)[C@@H]1C)O2

Aglycone:
CC1C=CCC=CCCCCCCCCCC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(N)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 13 FractionCSP3: 0.87
AlogP: 1.83 Num_rotatable_bonds: 3
MolWt: 934.17 Num_heavy_atoms: 65
TPSA: 319.61 NumAromaticRings: 0

Unique Aglycone
AD23814
Formula: C41H72O14

Smiles:
CC1C=CCC=CCCCCCCCCCC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.85
AlogP: 3.01 Num_rotatable_bonds: 1
MolWt: 789.01 Num_heavy_atoms: 55
TPSA: 254.9 NumAromaticRings: 0

Sugarmoiety
SD00205

CC1OC(O)C(O)C(N)C1O