Glycoside
...
GD156386

Name:
6-[1-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-9-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

Formula:
C45H70O19

Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(OC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1

Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.89
AlogP: -1.73 Num_rotatable_bonds: 11
MolWt: 915.04 Num_heavy_atoms: 64
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD48665
Formula: C28H42O5

Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.82
AlogP: 4.16 Num_rotatable_bonds: 3
MolWt: 458.64 Num_heavy_atoms: 33
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD05001

OCC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O