Glycoside
...
GD149235

Name:
2-hydroxy-5-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-8-(hydroxymethyl)-10a-[1-(2-hydroxyphenyl)cyclohexyl]-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:
C48H53O14N3

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)CCC12C1(c2ccccc2O)CCCCC1

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C1(c2ccccc2O)CCCCC1

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 11 FractionCSP3: 0.44
AlogP: 3.2 Num_rotatable_bonds: 11
MolWt: 895.96 Num_heavy_atoms: 65
TPSA: 286.82 NumAromaticRings: 4

Unique Aglycone
AD59682
Formula: C42H43O8N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C1(c2ccccc2O)CCCCC1
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.36
AlogP: 6.41 Num_rotatable_bonds: 8
MolWt: 717.82 Num_heavy_atoms: 53
TPSA: 187.44 NumAromaticRings: 4

Sugarmoiety
SD00999

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