Glycoside
...
GD147243

Name:
None

Formula:
C56H78O25N2

Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(OC)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC2CC(O)C(OC3CC(C)(N(O)O)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)O2)C(N(C)C)C1O

Aglycone:
CC1OC(O)CC(C)(N(O)O)C1O.COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O

Sugarmoiety:
CC1OC(O)CC(O)C1O.COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 9 FractionCSP3: 0.73
AlogP: 1.24 Num_rotatable_bonds: 13
MolWt: 1179.23 Num_heavy_atoms: 83
TPSA: 359.75 NumAromaticRings: 2

Unique Aglycone
AD06648
Formula: C29H31O12N

Smiles:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.48
AlogP: -0.07 Num_rotatable_bonds: 2
MolWt: 585.56 Num_heavy_atoms: 42
TPSA: 203.52 NumAromaticRings: 2
AD47859
Formula: C7H15O5N

Smiles:
CC1OC(O)CC(C)(N(O)O)C1O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.69 Num_rotatable_bonds: 1
MolWt: 193.2 Num_heavy_atoms: 13
TPSA: 93.39 NumAromaticRings: 0

Sugarmoiety
SD09427

CC1OC(O)CC(O)C1O.COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1O