Glycoside
...
GD151833

Name:
3-({1-amino-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-9b-yl}methyl)-5-hydroxy-1-(3-{4-hydroxy-3-[5-(hydroxymethyl)-4-{[(1H-pyrrol-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl]phenyl}prop-2-enoyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C51H58O13N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O

Aglycone:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 14 FractionCSP3: 0.43
AlogP: 2.6 Num_rotatable_bonds: 13
MolWt: 963.05 Num_heavy_atoms: 70
TPSA: 320.43 NumAromaticRings: 5

Unique Aglycone
AD60514
Formula: C45H48O7N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O
HBA: 13 RingCount: 9
HBD: 10 FractionCSP3: 0.36
AlogP: 5.8 Num_rotatable_bonds: 10
MolWt: 784.91 Num_heavy_atoms: 58
TPSA: 221.05 NumAromaticRings: 5

Sugarmoiety
SD00999

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