Glycoside
...
GD157821

Name:
(2-aminoethoxy)({38-[1,2,3,4,5,6-hexahydroxy-2-(hydroxymethyl)hexyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl}methoxy)phosphinic acid

Formula:
C94H190O15NP

Smiles:
CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(C(O)C(O)(CO)C(O)C(O)C(O)CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(COP(=O)(O)OCCN)COCCC(C)CCC1

Aglycone:
CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCN)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCCOCCC(C)CCC1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(CO)C(O)O

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 10 FractionCSP3: 1.0
AlogP: 22.4 Num_rotatable_bonds: 13
MolWt: 1605.52 Num_heavy_atoms: 111
TPSA: 260.31 NumAromaticRings: 0

Unique Aglycone
AD62356
Formula: C87H176O8NP

Smiles:
CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCN)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCCOCCC(C)CCC1
HBA: 9 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: 26.87 Num_rotatable_bonds: 6
MolWt: 1395.34 Num_heavy_atoms: 97
TPSA: 118.7 NumAromaticRings: 0

Sugarmoiety
SD10624

OCC(O)C(O)C(O)C(O)(CO)C(O)O