Glycoside
...
GD148867

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

Formula:
C64H76O16N6

Smiles:
N=C(NCc1ccccc1)NCC1(CC(O)CCC2=CC3(C(=O)O)C(c4c(cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)c4O)N3C(=O)C=Cc3ccc(O)c(Cc4cnc[nH]4)c3)C2C23c4c(O)cccc4CCC2CCCC3CO)CCCC1

Aglycone:
N=C(NCc1ccccc1)NCC1(CC(O)CCC2=CC3(C(=O)O)C(c4c(cc(O)c(O)c4O)N3C(=O)C=Cc3ccc(O)c(Cc4cnc[nH]4)c3)C2C23c4c(O)cccc4CCC2CCCC3CO)CCCC1

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

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 16 FractionCSP3: 0.47
AlogP: 4.54 Num_rotatable_bonds: 19
MolWt: 1185.34 Num_heavy_atoms: 86
TPSA: 375.19 NumAromaticRings: 5

Unique Aglycone
AD59551
Formula: C58H66O10N6

Smiles:
N=C(NCc1ccccc1)NCC1(CC(O)CCC2=CC3(C(=O)O)C(c4c(cc(O)c(O)c4O)N3C(=O)C=Cc3ccc(O)c(Cc4cnc[nH]4)c3)C2C23c4c(O)cccc4CCC2CCCC3CO)CCCC1
HBA: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.41
AlogP: 7.75 Num_rotatable_bonds: 16
MolWt: 1007.2 Num_heavy_atoms: 74
TPSA: 275.81 NumAromaticRings: 5

Sugarmoiety
SD00999

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