Glycoside
...
GD127301

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

Formula:
C51H80O23

Smiles:
CC(CCC(=O)C(C)C1=CC=C2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C)COC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(CO)CCC(=O)C(C)C1=CC=C2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.86
AlogP: -3.32 Num_rotatable_bonds: 18
MolWt: 1061.18 Num_heavy_atoms: 74
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD49870
Formula: C27H40O3

Smiles:
CC(CO)CCC(=O)C(C)C1=CC=C2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.74
AlogP: 5.38 Num_rotatable_bonds: 6
MolWt: 412.61 Num_heavy_atoms: 30
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD01473

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O