Glycoside
...
GD140464

Name:
6,25-dihydroxy-10-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-15,27-bis(hydroxymethyl)-7-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-azaoctacyclo[17.7.5.0¹,³¹.0²,¹³.0²,¹⁷.0³,¹¹.0⁴,⁹.0²¹,²⁶]hentriaconta-4(9),5,7,12,21(26),22,24-heptaene-11-carboxylic acid

Formula:
C52H57O15N3

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)CC3CC4Cc5cccc(O)c5C5(C(CO)CCCC45)C132

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CC3CC4Cc5cccc(O)c5C5(C(CO)CCCC45)C132

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

Other Identifiers

Properties
HBA: 18 RingCount: 11
HBD: 12 FractionCSP3: 0.48
AlogP: 2.45 Num_rotatable_bonds: 10
MolWt: 964.03 Num_heavy_atoms: 70
TPSA: 307.05 NumAromaticRings: 4

Unique Aglycone
AD56638
Formula: C46H47O9N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)CC3CC4Cc5cccc(O)c5C5(C(CO)CCCC45)C132
HBA: 12 RingCount: 10
HBD: 8 FractionCSP3: 0.41
AlogP: 5.66 Num_rotatable_bonds: 7
MolWt: 785.89 Num_heavy_atoms: 58
TPSA: 207.67 NumAromaticRings: 4

Sugarmoiety
SD00999

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