Glycoside
...
GD004307

Name:
56-amino-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-14,16,30-trimethyl-31-oxo-29-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide

Formula:
C70H108O20N2

Smiles:
CC(C=CCCC=CC=CC=CC=CC(=O)NC1=C(O)CCC1=O)C(O)C(C)C(O)C=CC=CC=CC=CC=CCC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CCCN

Aglycone:
CC(C=CCCC=CC=CC=CC=CC(=O)NC1=C(O)CCC1=O)C(O)C(C)C(O)C=CC=CC=CC=CC=CCC(O)C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CCCN

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

Other Identifiers

Properties
HBA: 22 RingCount: 2
HBD: 18 FractionCSP3: 0.59
AlogP: 3.99 Num_rotatable_bonds: 46
MolWt: 1297.63 Num_heavy_atoms: 92
TPSA: 411.17 NumAromaticRings: 0

Unique Aglycone
AD03782
Formula: C64H98O16N2

Smiles:
CC(C=CCCC=CC=CC=CC=CC(=O)NC1=C(O)CCC1=O)C(O)C(C)C(O)C=CC=CC=CC=CC=CCC(O)C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CCCN
HBA: 18 RingCount: 1
HBD: 16 FractionCSP3: 0.55
AlogP: 5.14 Num_rotatable_bonds: 44
MolWt: 1151.49 Num_heavy_atoms: 82
TPSA: 352.25 NumAromaticRings: 0

Sugarmoiety
SD00076

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