Glycoside
...
GD150690

Name:
None

Formula:
C42H44O13N4

Smiles:
COc1c2ccc3c1OC1c4c(CN5C=C6C=CN=C6C5)cc(OC5OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C5O)cc4OC(Cc4ccc(cc4)CCO2)C31

Aglycone:
COc1c2ccc3c1OC1c4c(CN5C=C6C=CN=C6C5)cc(O)cc4OC(Cc4ccc(cc4)CCO2)C31.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 12
HBD: 8 FractionCSP3: 0.4
AlogP: 1.34 Num_rotatable_bonds: 10
MolWt: 812.83 Num_heavy_atoms: 59
TPSA: 247.31 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
AD47473
Formula: C32H28O5N2

Smiles:
COc1c2ccc3c1OC1c4c(CN5C=C6C=CN=C6C5)cc(O)cc4OC(Cc4ccc(cc4)CCO2)C31
HBA: 7 RingCount: 11
HBD: 1 FractionCSP3: 0.28
AlogP: 5.22 Num_rotatable_bonds: 3
MolWt: 520.59 Num_heavy_atoms: 39
TPSA: 72.75 NumAromaticRings: 3

Sugarmoiety
SD00017

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