Glycoside
...
GD118664

Name:
None

Formula:
C41H40O13N2

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 12
HBD: 4 FractionCSP3: 0.39
AlogP: 2.72 Num_rotatable_bonds: 9
MolWt: 768.77 Num_heavy_atoms: 56
TPSA: 195.27 NumAromaticRings: 3

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 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