Glycoside
...
GD131319

Name:
20-amino-15-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14-({5'-formyl-4'a-hydroxy-2',4',4'a,9',10',10'a-hexahydro-1'H-spiro[cyclopentane-1,3'-phenanthren]-6'-yl}methyl)-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxopentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C62H70O15N4

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)(O)C4OCCNC(=N)N)c(Cc4ccc5c(c4C=O)C4(O)CC6(CCCC6)CCC4CC5)c(O)c(c1C3=O)C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CC6(CCCC6)CCC4CC5)c(O)c(c1C3=O)C2=O.N=C(N)NCCO

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

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.47
AlogP: 4.26 Num_rotatable_bonds: 11
MolWt: 1111.25 Num_heavy_atoms: 81
TPSA: 334.73 NumAromaticRings: 4

Unique Aglycone
AD44928
Formula: C3H9ON3

Smiles:
N=C(N)NCCO
HBA: 4 RingCount: 0
HBD: 5 FractionCSP3: 0.67
AlogP: -1.54 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 82.13 NumAromaticRings: 0
AD53205
Formula: C53H53O10N

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CC6(CCCC6)CCC4CC5)c(O)c(c1C3=O)C2=O
HBA: 11 RingCount: 9
HBD: 7 FractionCSP3: 0.4
AlogP: 6.93 Num_rotatable_bonds: 5
MolWt: 864.0 Num_heavy_atoms: 64
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD04321

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