Glycoside
...
GD147273

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

Formula:
C64H74O16N6

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)c(O)c3C3C2(C(=O)O)C=C2CC(C(O)CCCNC(=N)NCc4ccccc4)C=CC23C23c4c(O)cccc4CCC2CCCC3CO)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)c(O)c3C3C2(C(=O)O)C=C2CC(C(O)CCCNC(=N)NCc4ccccc4)C=CC23C23c4c(O)cccc4CCC2CCCC3CO)ccc1O

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

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 16 FractionCSP3: 0.44
AlogP: 4.1 Num_rotatable_bonds: 18
MolWt: 1183.32 Num_heavy_atoms: 86
TPSA: 375.19 NumAromaticRings: 5

Unique Aglycone
AD58987
Formula: C58H64O10N6

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)c(O)c3C3C2(C(=O)O)C=C2CC(C(O)CCCNC(=N)NCc4ccccc4)C=CC23C23c4c(O)cccc4CCC2CCCC3CO)ccc1O
HBA: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.38
AlogP: 7.31 Num_rotatable_bonds: 15
MolWt: 1005.18 Num_heavy_atoms: 74
TPSA: 275.81 NumAromaticRings: 5

Sugarmoiety
SD00999

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