Glycoside
...
GD154521

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

Formula:
C50H55O14N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C12CCCCC1CCc1cccc(O)c12

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C12CCCCC1CCc1cccc(O)c12

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

Other Identifiers

Properties
HBA: 17 RingCount: 10
HBD: 11 FractionCSP3: 0.46
AlogP: 3.38 Num_rotatable_bonds: 10
MolWt: 922.0 Num_heavy_atoms: 67
TPSA: 286.82 NumAromaticRings: 4

Unique Aglycone
AD61365
Formula: C44H45O8N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C12CCCCC1CCc1cccc(O)c12
HBA: 11 RingCount: 9
HBD: 7 FractionCSP3: 0.39
AlogP: 6.58 Num_rotatable_bonds: 7
MolWt: 743.86 Num_heavy_atoms: 55
TPSA: 187.44 NumAromaticRings: 4

Sugarmoiety
SD00999

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