Glycoside
...
GD133375

Name:
None

Formula:
C36H44O13N4

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

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 0.5
AlogP: 0.23 Num_rotatable_bonds: 10
MolWt: 740.76 Num_heavy_atoms: 53
TPSA: 269.76 NumAromaticRings: 2

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
AD53989
Formula: C26H28O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=CC=C(N)NC3)OC3(CCCC3)C21
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.38
AlogP: 4.12 Num_rotatable_bonds: 3
MolWt: 448.52 Num_heavy_atoms: 33
TPSA: 95.2 NumAromaticRings: 2

Sugarmoiety
SD00017

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