Glycoside
...
GD148176

Name:
None

Formula:
C39H43O13N3

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3C3=c4ccccc4=NC3)OC3(CCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=c4ccccc4=NC3)OC3(CCCC3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 8 FractionCSP3: 0.46
AlogP: 0.27 Num_rotatable_bonds: 10
MolWt: 761.78 Num_heavy_atoms: 55
TPSA: 244.07 NumAromaticRings: 3

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
AD59305
Formula: C29H27O5N

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=c4ccccc4=NC3)OC3(CCCC3)C21
HBA: 6 RingCount: 7
HBD: 1 FractionCSP3: 0.34
AlogP: 4.16 Num_rotatable_bonds: 3
MolWt: 469.54 Num_heavy_atoms: 35
TPSA: 69.51 NumAromaticRings: 3

Sugarmoiety
SD00017

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