Glycoside
...
GD120510

Name:
3-[(6-{[14,15-dimethoxy-3-({1H,5H-pyrrolo[3,4-b]pyrrol-5-yl}methyl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

Formula:
C33H34O13N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OCC21

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 5 FractionCSP3: 0.39
AlogP: 1.85 Num_rotatable_bonds: 10
MolWt: 666.64 Num_heavy_atoms: 48
TPSA: 200.39 NumAromaticRings: 4

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
AD48425
Formula: C24H22O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OCC21
HBA: 7 RingCount: 6
HBD: 2 FractionCSP3: 0.25
AlogP: 4.35 Num_rotatable_bonds: 4
MolWt: 418.45 Num_heavy_atoms: 31
TPSA: 77.87 NumAromaticRings: 4

Sugarmoiety
SD00017

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