Glycoside
...
GD128227

Name:
None

Formula:
C43H43O13N3

Smiles:
COc1c2ccc3c1OC1c4c(cc(OC5OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C5O)cc4C4=c5ccccc5=NC4)OC(Cc4ccc(cc4)CCO2)C31

Aglycone:
COc1c2ccc3c1OC1c4c(cc(O)cc4C4=c5ccccc5=NC4)OC(Cc4ccc(cc4)CCO2)C31.NC(N)COC(=O)CC(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 12
HBD: 8 FractionCSP3: 0.37
AlogP: 0.5 Num_rotatable_bonds: 9
MolWt: 809.82 Num_heavy_atoms: 59
TPSA: 244.07 NumAromaticRings: 4

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
AD51945
Formula: C33H27O5N

Smiles:
COc1c2ccc3c1OC1c4c(cc(O)cc4C4=c5ccccc5=NC4)OC(Cc4ccc(cc4)CCO2)C31
HBA: 6 RingCount: 11
HBD: 1 FractionCSP3: 0.24
AlogP: 4.39 Num_rotatable_bonds: 2
MolWt: 517.58 Num_heavy_atoms: 39
TPSA: 69.51 NumAromaticRings: 4

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O