Glycoside
...
GD128694

Name:
1-acetyl-7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1,3a,3b-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl pyridine-3-carboxylate

Formula:
C55H83O20N

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)c3cccnc3)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 5 FractionCSP3: 0.84
AlogP: 3.2 Num_rotatable_bonds: 15
MolWt: 1078.26 Num_heavy_atoms: 76
TPSA: 268.17 NumAromaticRings: 1

Unique Aglycone
AD46151
Formula: C27H35O7N

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.67
AlogP: 2.09 Num_rotatable_bonds: 3
MolWt: 485.58 Num_heavy_atoms: 35
TPSA: 137.18 NumAromaticRings: 1

Sugarmoiety
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1