Glycoside
...
GD136373

Name:
3-({2-azatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-trien-16-yl}methyl)-5-hydroxy-1-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C44H48O12N4

Smiles:
O=C(O)C1C(CC23c4c5cccc4NCC2CCCC3CC5)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Aglycone:
O=C(O)C1C(CC23c4c5cccc4NCC2CCCC3CC5)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 10 FractionCSP3: 0.43
AlogP: 2.62 Num_rotatable_bonds: 10
MolWt: 824.88 Num_heavy_atoms: 60
TPSA: 258.39 NumAromaticRings: 4

Unique Aglycone
AD55126
Formula: C38H38O6N4

Smiles:
O=C(O)C1C(CC23c4c5cccc4NCC2CCCC3CC5)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 10 RingCount: 8
HBD: 6 FractionCSP3: 0.34
AlogP: 5.83 Num_rotatable_bonds: 7
MolWt: 646.74 Num_heavy_atoms: 48
TPSA: 159.01 NumAromaticRings: 4

Sugarmoiety
SD00999

OCC1OC(O)(O)C(O)C(O)C1O