Glycoside
...
GD130649

Name:
20-amino-14-{[2-formyl-3-(hydroxymethyl)phenyl]methyl}-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11,13,15,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C48H47O14N

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)C4O)c(Cc4cccc(CO)c4C=O)c(O)c(c1C3=O)C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4cccc(CO)c4C=O)c(O)c(c1C3=O)C2=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.33
AlogP: 2.43 Num_rotatable_bonds: 8
MolWt: 861.9 Num_heavy_atoms: 63
TPSA: 263.6 NumAromaticRings: 4

Unique Aglycone
AD46717
Formula: C42H37O10N

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4cccc(CO)c4C=O)c(O)c(c1C3=O)C2=O
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.24
AlogP: 3.93 Num_rotatable_bonds: 6
MolWt: 715.76 Num_heavy_atoms: 53
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O