Glycoside
...
GD119074

Name:
7-hydroxy-1-[5-hydroxy-3,4-bis(hydroxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl]-4-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-2-(3-hydroxypropyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C50H57O16N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCC(CO)C4CO)C(CCCO)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCC(CO)C4CO)C(CCCO)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 13 FractionCSP3: 0.46
AlogP: 1.42 Num_rotatable_bonds: 14
MolWt: 956.01 Num_heavy_atoms: 69
TPSA: 327.28 NumAromaticRings: 4

Unique Aglycone
AD47665
Formula: C44H47O10N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCC(CO)C4CO)C(CCCO)=CC21C(=O)O
HBA: 13 RingCount: 8
HBD: 9 FractionCSP3: 0.39
AlogP: 4.63 Num_rotatable_bonds: 11
MolWt: 777.87 Num_heavy_atoms: 57
TPSA: 227.9 NumAromaticRings: 4

Sugarmoiety
SD00999

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