Glycoside
...
GD122840

Name:
3-[2,2-diamino-1-(6-{[9-benzyl-15-(2-hydroxyethoxy)-14-(hydroxymethoxy)-3-{[6-(hydroxymethyl)-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)ethoxy]-3-oxopropanoic acid

Formula:
C43H48O16N4

Smiles:
NC(N)C(OC(=O)CC(=O)O)C1OC(Oc2cc(Cn3cc4cc[nH]c4c3CO)c3c(c2)OC(Cc2ccccc2)C2c4ccc(OCO)c(OCCO)c4OC32)C(O)C(O)C1O

Aglycone:
NC(N)COC(=O)CC(=O)O.OCCOc1c(OCO)ccc2c1OC1c3c(Cn4cc5cc[nH]c5c4CO)cc(O)cc3OC(Cc3ccccc3)C21

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.4
AlogP: 0.25 Num_rotatable_bonds: 17
MolWt: 876.87 Num_heavy_atoms: 63
TPSA: 313.12 NumAromaticRings: 5

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
AD49542
Formula: C33H32O8N2

Smiles:
OCCOc1c(OCO)ccc2c1OC1c3c(Cn4cc5cc[nH]c5c4CO)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.27
AlogP: 4.14 Num_rotatable_bonds: 10
MolWt: 584.63 Num_heavy_atoms: 43
TPSA: 138.56 NumAromaticRings: 5

Sugarmoiety
SD00017

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