Glycoside
...
GD118251

Name:
2-[4-(2-{[amino(benzylamino)methylidene]amino}ethyl)-3-hydroxycyclohexyl]-4-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-7,8-dihydroxy-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:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)c(O)c3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(C4CCC(CCNC(=N)NCc5ccccc5)C(O)C4)=CC32C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)c(O)c3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(C4CCC(CCNC(=N)NCc5ccccc5)C(O)C4)=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 16 FractionCSP3: 0.47
AlogP: 4.18 Num_rotatable_bonds: 17
MolWt: 1185.34 Num_heavy_atoms: 86
TPSA: 375.19 NumAromaticRings: 5

Unique Aglycone
AD47264
Formula: C58H66O10N6

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)c(O)c3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(C4CCC(CCNC(=N)NCc5ccccc5)C(O)C4)=CC32C(=O)O)ccc1O
HBA: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.41
AlogP: 7.39 Num_rotatable_bonds: 14
MolWt: 1007.2 Num_heavy_atoms: 74
TPSA: 275.81 NumAromaticRings: 5

Sugarmoiety
SD00999

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