Glycoside
...
GD148337

Name:
1-acetyl-3a,3b-dihydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-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:
C48H71O15N

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5CC(OC(=O)c5cccnc5)C5(C)C(C(C)=O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 3 FractionCSP3: 0.81
AlogP: 4.58 Num_rotatable_bonds: 12
MolWt: 902.09 Num_heavy_atoms: 64
TPSA: 200.02 NumAromaticRings: 1

Unique Aglycone
AD48986
Formula: C27H35O6N

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.67
AlogP: 2.98 Num_rotatable_bonds: 3
MolWt: 469.58 Num_heavy_atoms: 34
TPSA: 116.95 NumAromaticRings: 1

Sugarmoiety
SD00437

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O