Glycoside
...
GD126677

Name:
2-hydroxy-5-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-10a-[5-hydroxy-4-(hydroxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl]-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:
C51H57O15N3

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)CCC12C12c3c(O)cccc3CCC1CCCC2CO

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C12c3c(O)cccc3CCC1CCCC2CO

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

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 12 FractionCSP3: 0.47
AlogP: 2.59 Num_rotatable_bonds: 11
MolWt: 952.02 Num_heavy_atoms: 69
TPSA: 307.05 NumAromaticRings: 4

Unique Aglycone
AD51271
Formula: C45H47O9N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CCC12C12c3c(O)cccc3CCC1CCCC2CO
HBA: 12 RingCount: 9
HBD: 8 FractionCSP3: 0.4
AlogP: 5.8 Num_rotatable_bonds: 8
MolWt: 773.88 Num_heavy_atoms: 57
TPSA: 207.67 NumAromaticRings: 4

Sugarmoiety
SD00999

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