Glycoside
...
GD125383

Name:
N-[7-(4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-oxacyclooctatetraconta-20,28,32,36-tetraen-2-yl)octyl]guanidine

Formula:
C73H135O22N3

Smiles:
CC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CCCCCCNC(=N)N)OC(=O)CCCCCC(O)C(C)C(O)CCC=CC(C)C1O

Aglycone:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CCCCCCNC(=N)N)OC(=O)CCCCCC(O)C(C)C(O)CCC=CC(C)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 2
HBD: 22 FractionCSP3: 0.86
AlogP: 3.02 Num_rotatable_bonds: 11
MolWt: 1406.88 Num_heavy_atoms: 98
TPSA: 470.8 NumAromaticRings: 0

Unique Aglycone
AD50705
Formula: C67H125O17N3

Smiles:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CCCCCCNC(=N)N)OC(=O)CCCCCC(O)C(C)C(O)CCC=CC(C)C1O
HBA: 20 RingCount: 1
HBD: 19 FractionCSP3: 0.85
AlogP: 5.2 Num_rotatable_bonds: 8
MolWt: 1244.74 Num_heavy_atoms: 87
TPSA: 391.65 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O